N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C18H30N4O5S2 — CID 20629890

IUPACN-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C18H30N4O5S2/c1-13(2)20-29(26,27)17-7-5-6-16(12-17)19-18(23)22-10-8-15(9-11-22)21-28(24,25)14(3)4/h5-7,12-15,20-21H,8-11H2,1-4H3,(H,19,23)
InChIKeyHLXHOKIZGZLYDY-UHFFFAOYSA-N
MW446.60 g/mol
LogP1.70
Rot. Bonds7

About N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20629890) has the molecular formula C18H30N4O5S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20629890
Molecular FormulaC18H30N4O5S2
Molecular Weight446.60 g/mol
Exact Mass446.17
IUPAC NameN-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C18H30N4O5S2/c1-13(2)20-29(26,27)17-7-5-6-16(12-17)19-18(23)22-10-8-15(9-11-22)21-28(24,25)14(3)4/h5-7,12-15,20-21H,8-11H2,1-4H3,(H,19,23)
InChIKeyHLXHOKIZGZLYDY-UHFFFAOYSA-N
XLogP1.70
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628894
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 20628957
N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630887
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630279
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20629890) is N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)NS(=O)(=O)c1cccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is HLXHOKIZGZLYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O5S2/c1-13(2)20-29(26,27)17-7-5-6-16(12-17)19-18(23)22-10-8-15(9-11-22)21-28(24,25)14(3)4/h5-7,12-15,20-21H,8-11H2,1-4H3,(H,19,23).
What are the key properties of N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20629890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).