N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide

C135H197ClN18O22S6 — CID 158789626

About N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide

N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 158789626) has the molecular formula C135H197ClN18O22S6 and a molecular weight of 2652.02 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide
• PubChem CID: 158789626
• Molecular Formula: C135H197ClN18O22S6
• Molecular Weight: 2652.02 g/mol
• Exact Mass: 2649.29
• IUPAC Name: N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide
• SMILES: CC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCn1c2ccccc2c2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21.Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
• InChI: InChI=1S/C26H30ClN3O5S.C25H33N3O3S.C22H35N3O3S.C21H33N3O4S.C21H35N3O3S.C20H31N3O4S/c1-15-13-19(10-12-22(15)30-24(32)20-11-7-17(27)14-21(20)25(30)33)28-23(31)16-5-8-18(9-6-16)29-36(34,35)26(2,3)4;1-5-28-22-9-7-6-8-20(22)21-16-19(14-15-23(21)28)26-24(29)17-10-12-18(13-11-17)27-32(30,31)25(2,3)4;1-22(2,3)29(27,28)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)25-15-5-4-6-16-25;1-21(2,3)29(26,27)23-18-6-4-16(5-7-18)20(25)22-17-8-10-19(11-9-17)24-12-14-28-15-13-24;1-6-24(7-2)19-14-12-17(13-15-19)22-20(25)16-8-10-18(11-9-16)23-28(26,27)21(3,4)5;1-14(24)23(5)18-12-10-16(11-13-18)21-19(25)15-6-8-17(9-7-15)22-28(26,27)20(2,3)4/h7,10-14,16,18,29H,5-6,8-9H2,1-4H3,(H,28,31);6-9,14-18,27H,5,10-13H2,1-4H3,(H,26,29);11-14,17,19,24H,4-10,15-16H2,1-3H3,(H,23,26);8-11,16,18,23H,4-7,12-15H2,1-3H3,(H,22,25);12-16,18,23H,6-11H2,1-5H3,(H,22,25);10-13,15,17,22H,6-9H2,1-5H3,(H,21,25)
• InChIKey: ISCMSBIPWCOQRH-UHFFFAOYSA-N
• XLogP: 22.96
• TPSA: 533.19 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.02
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?

The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide (CID 158789626) is N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide.

What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?

The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide is CC(=O)N(C)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1.CCN(CC)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCn1c2ccccc2c2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21.Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.

What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?

The InChIKey is ISCMSBIPWCOQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O5S.C25H33N3O3S.C22H35N3O3S.C21H33N3O4S.C21H35N3O3S.C20H31N3O4S/c1-15-13-19(10-12-22(15)30-24(32)20-11-7-17(27)14-21(20)25(30)33)28-23(31)16-5-8-18(9-6-16)29-36(34,35)26(2,3)4;1-5-28-22-9-7-6-8-20(22)21-16-19(14-15-23(21)28)26-24(29)17-10-12-18(13-11-17)27-32(30,31)25(2,3)4;1-22(2,3)29(27,28)24-19-9-7-17(8-10-19)21(26)23-18-11-13-20(14-12-18)25-15-5-4-6-16-25;1-21(2,3)29(26,27)23-18-6-4-16(5-7-18)20(25)22-17-8-10-19(11-9-17)24-12-14-28-15-13-24;1-6-24(7-2)19-14-12-17(13-15-19)22-20(25)16-8-10-18(11-9-16)23-28(26,27)21(3,4)5;1-14(24)23(5)18-12-10-16(11-13-18)21-19(25)15-6-8-17(9-7-15)22-28(26,27)20(2,3)4/h7,10-14,16,18,29H,5-6,8-9H2,1-4H3,(H,28,31);6-9,14-18,27H,5,10-13H2,1-4H3,(H,26,29);11-14,17,19,24H,4-10,15-16H2,1-3H3,(H,23,26);8-11,16,18,23H,4-7,12-15H2,1-3H3,(H,22,25);12-16,18,23H,6-11H2,1-5H3,(H,22,25);10-13,15,17,22H,6-9H2,1-5H3,(H,21,25).

What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide?

N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 2652.02 g/mol, XLogP of 22.96, 32 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[acetyl(methyl)amino]phenyl]-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 158789626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).