1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide

C24H31N3O4S — CID 2528852

IUPAC1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O4S/c1-17(2)26(4)32(30,31)21-11-9-20(10-12-21)25-23(28)19-13-15-27(16-14-19)24(29)22-8-6-5-7-18(22)3/h5-12,17,19H,13-16H2,1-4H3,(H,25,28)
InChIKeyLOZIAGRABLPRLS-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.51
Rot. Bonds6

About 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide (PubChem CID 2528852) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
PubChem CID2528852
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O4S/c1-17(2)26(4)32(30,31)21-11-9-20(10-12-21)25-23(28)19-13-15-27(16-14-19)24(29)22-8-6-5-7-18(22)3/h5-12,17,19H,13-16H2,1-4H3,(H,25,28)
InChIKeyLOZIAGRABLPRLS-UHFFFAOYSA-N
XLogP3.51
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 721954
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CID 137796294
USP30 inhibitor 18
CID 142474792
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
4-[4-(2-Methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid methylamide
CID 11754900
4-[(3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino]benzenesulfonamide
CID 367783
N-phenyl-2-(piperidine-1-carbonyl)benzamide
CID 728832
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide (CID 2528852) is 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The InChIKey is LOZIAGRABLPRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17(2)26(4)32(30,31)21-11-9-20(10-12-21)25-23(28)19-13-15-27(16-14-19)24(29)22-8-6-5-7-18(22)3/h5-12,17,19H,13-16H2,1-4H3,(H,25,28).
What are the key properties of 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 2528852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).