N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C132H196F3N21O31S9 — CID 157280908

About N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 157280908) has the molecular formula C132H196F3N21O31S9 and a molecular weight of 2918.73 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
• PubChem CID: 157280908
• Molecular Formula: C132H196F3N21O31S9
• Molecular Weight: 2918.73 g/mol
• Exact Mass: 2916.18
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
• SMILES: CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nc3ccccc3s2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cn1.CC(C)CN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2C1=O.CC(C)CN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2C1=O.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC3CCOCC3)cc2)CC1
• InChI: InChI=1S/C21H33N3O5S2.C21H31N3O5S.C20H31N3O5S.C20H29N3O5S.C18H25N3O3S2.C17H25N3O5S.C15H22F3N3O3S/c1-21(2,3)31(28,29)23-18-6-4-16(5-7-18)20(25)22-17-8-10-19(11-9-17)24-12-14-30(26,27)15-13-24;1-14(2)13-24-19(26)16-10-9-15(12-17(16)20(24)27)23-18(25)8-6-7-11-22-30(28,29)21(3,4)5;1-15(2)29(25,26)22-17-7-11-23(12-8-17)20(24)21-16-3-5-18(6-4-16)28-19-9-13-27-14-10-19;1-13(2)12-23-19(25)16-9-8-15(11-17(16)20(23)26)22-18(24)7-5-6-10-21-29(27,28)14(3)4;1-18(2,3)26(23,24)21-13-10-8-12(9-11-13)16(22)20-17-19-14-6-4-5-7-15(14)25-17;1-17(2,3)26(22,23)19-12-6-8-20(9-7-12)16(21)18-13-4-5-14-15(10-13)25-11-24-14;1-14(2,3)25(23,24)20-9-5-4-6-13(22)21-12-8-7-11(10-19-12)15(16,17)18/h8-11,16,18,23H,4-7,12-15H2,1-3H3,(H,22,25);9-10,12,14,22H,6-8,11,13H2,1-5H3,(H,23,25);3-6,15,17,19,22H,7-14H2,1-2H3,(H,21,24);8-9,11,13-14,21H,5-7,10,12H2,1-4H3,(H,22,24);4-7,12-13,21H,8-11H2,1-3H3,(H,19,20,22);4-5,10,12,19H,6-9,11H2,1-3H3,(H,18,21);7-8,10,20H,4-6,9H2,1-3H3,(H,19,21,22)
• InChIKey: AZQQPKILASHJGK-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 708.21 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 44
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2918.73
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 157280908) is N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nc3ccccc3s2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cn1.CC(C)CN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2C1=O.CC(C)CN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2C1=O.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC3CCOCC3)cc2)CC1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

The InChIKey is AZQQPKILASHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5S2.C21H31N3O5S.C20H31N3O5S.C20H29N3O5S.C18H25N3O3S2.C17H25N3O5S.C15H22F3N3O3S/c1-21(2,3)31(28,29)23-18-6-4-16(5-7-18)20(25)22-17-8-10-19(11-9-17)24-12-14-30(26,27)15-13-24;1-14(2)13-24-19(26)16-10-9-15(12-17(16)20(24)27)23-18(25)8-6-7-11-22-30(28,29)21(3,4)5;1-15(2)29(25,26)22-17-7-11-23(12-8-17)20(24)21-16-3-5-18(6-4-16)28-19-9-13-27-14-10-19;1-13(2)12-23-19(25)16-9-8-15(11-17(16)20(23)26)22-18(24)7-5-6-10-21-29(27,28)14(3)4;1-18(2,3)26(23,24)21-13-10-8-12(9-11-13)16(22)20-17-19-14-6-4-5-7-15(14)25-17;1-17(2,3)26(22,23)19-12-6-8-20(9-7-12)16(21)18-13-4-5-14-15(10-13)25-11-24-14;1-14(2,3)25(23,24)20-9-5-4-6-13(22)21-12-8-7-11(10-19-12)15(16,17)18/h8-11,16,18,23H,4-7,12-15H2,1-3H3,(H,22,25);9-10,12,14,22H,6-8,11,13H2,1-5H3,(H,23,25);3-6,15,17,19,22H,7-14H2,1-2H3,(H,21,24);8-9,11,13-14,21H,5-7,10,12H2,1-4H3,(H,22,24);4-7,12-13,21H,8-11H2,1-3H3,(H,19,20,22);4-5,10,12,19H,6-9,11H2,1-3H3,(H,18,21);7-8,10,20H,4-6,9H2,1-3H3,(H,19,21,22).

What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 2918.73 g/mol, XLogP of 18.41, 44 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(1,3-benzothiazol-2-yl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;5-(tert-butylsulfonylamino)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide;N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(oxan-4-yloxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 157280908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).