N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

C27H35N3O4S — CID 46384573

IUPACN-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C(=O)NC4CCCCCC4)C3)cc2)cc1
InChIInChI=1S/C27H35N3O4S/c1-20-10-16-25(17-11-20)35(33,34)29-24-14-12-21(13-15-24)27(32)30-18-6-7-22(19-30)26(31)28-23-8-4-2-3-5-9-23/h10-17,22-23,29H,2-9,18-19H2,1H3,(H,28,31)
InChIKeyPMPYRMRYAPRMPX-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.49
Rot. Bonds6

About N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (PubChem CID 46384573) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
PubChem CID46384573
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC NameN-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C(=O)NC4CCCCCC4)C3)cc2)cc1
InChIInChI=1S/C27H35N3O4S/c1-20-10-16-25(17-11-20)35(33,34)29-24-14-12-21(13-15-24)27(32)30-18-6-7-22(19-30)26(31)28-23-8-4-2-3-5-9-23/h10-17,22-23,29H,2-9,18-19H2,1H3,(H,28,31)
InChIKeyPMPYRMRYAPRMPX-UHFFFAOYSA-N
XLogP4.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146062956
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
CID 92729209
N-(4-methylphenyl)-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41283116
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (CID 46384573) is N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C(=O)NC4CCCCCC4)C3)cc2)cc1.
What is the InChIKey of N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The InChIKey is PMPYRMRYAPRMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-20-10-16-25(17-11-20)35(33,34)29-24-14-12-21(13-15-24)27(32)30-18-6-7-22(19-30)26(31)28-23-8-4-2-3-5-9-23/h10-17,22-23,29H,2-9,18-19H2,1H3,(H,28,31).
What are the key properties of N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide has a molecular weight of 497.66 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 46384573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).