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

C22H34N4O4S — CID 20629792

IUPACN-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C22H34N4O4S/c1-16(2)31(29,30)25-19-11-13-26(14-12-19)22(28)24-20-10-6-7-17(15-20)21(27)23-18-8-4-3-5-9-18/h6-7,10,15-16,18-19,25H,3-5,8-9,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWKDSCKFVJKJQFK-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.07
Rot. Bonds6

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

N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20629792) has the molecular formula C22H34N4O4S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20629792
Molecular FormulaC22H34N4O4S
Molecular Weight450.61 g/mol
Exact Mass450.23
IUPAC NameN-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C22H34N4O4S/c1-16(2)31(29,30)25-19-11-13-26(14-12-19)22(28)24-20-10-6-7-17(15-20)21(27)23-18-8-4-3-5-9-18/h6-7,10,15-16,18-19,25H,3-5,8-9,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWKDSCKFVJKJQFK-UHFFFAOYSA-N
XLogP3.07
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
N-(3-acetylphenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 43814135
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628894
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20629792) is N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is WKDSCKFVJKJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S/c1-16(2)31(29,30)25-19-11-13-26(14-12-19)22(28)24-20-10-6-7-17(15-20)21(27)23-18-8-4-3-5-9-18/h6-7,10,15-16,18-19,25H,3-5,8-9,11-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20629792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).