1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide

C24H31N3O4S — CID 55914431

IUPAC1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C1
InChIInChI=1S/C24H31N3O4S/c1-4-7-23(28)27-13-6-9-19(16-27)24(29)25-20-12-11-18(3)22(15-20)32(30,31)26-21-10-5-8-17(2)14-21/h5,8,10-12,14-15,19,26H,4,6-7,9,13,16H2,1-3H3,(H,25,29)
InChIKeyQOSDXRGOIRMCRZ-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.08
Rot. Bonds7

About 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide

1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 55914431) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
PubChem CID55914431
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C1
InChIInChI=1S/C24H31N3O4S/c1-4-7-23(28)27-13-6-9-19(16-27)24(29)25-20-12-11-18(3)22(15-20)32(30,31)26-21-10-5-8-17(2)14-21/h5,8,10-12,14-15,19,26H,4,6-7,9,13,16H2,1-3H3,(H,25,29)
InChIKeyQOSDXRGOIRMCRZ-UHFFFAOYSA-N
XLogP4.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933370
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 46489197
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
3-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55982410
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119265955
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 55789622
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (CID 55914431) is 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)C1.
What is the InChIKey of 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is QOSDXRGOIRMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-4-7-23(28)27-13-6-9-19(16-27)24(29)25-20-12-11-18(3)22(15-20)32(30,31)26-21-10-5-8-17(2)14-21/h5,8,10-12,14-15,19,26H,4,6-7,9,13,16H2,1-3H3,(H,25,29).
What are the key properties of 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55914431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).