N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide

C24H29N3O4S — CID 100680992

IUPACN-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c28-23(18-12-14-20(15-13-18)32(30,31)27-16-6-7-17-27)26-22-11-5-4-10-21(22)24(29)25-19-8-2-1-3-9-19/h4-5,10-15,19H,1-3,6-9,16-17H2,(H,25,29)(H,26,28)
InChIKeyUJBIBTMTIJJZCG-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.79
Rot. Bonds6

About N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide

N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 100680992) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
PubChem CID100680992
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c28-23(18-12-14-20(15-13-18)32(30,31)27-16-6-7-17-27)26-22-11-5-4-10-21(22)24(29)25-19-8-2-1-3-9-19/h4-5,10-15,19H,1-3,6-9,16-17H2,(H,25,29)(H,26,28)
InChIKeyUJBIBTMTIJJZCG-UHFFFAOYSA-N
XLogP3.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
1-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133189442
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156380
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide (CID 100680992) is N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is UJBIBTMTIJJZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c28-23(18-12-14-20(15-13-18)32(30,31)27-16-6-7-17-27)26-22-11-5-4-10-21(22)24(29)25-19-8-2-1-3-9-19/h4-5,10-15,19H,1-3,6-9,16-17H2,(H,25,29)(H,26,28).
What are the key properties of N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide?
N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 455.58 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 100680992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).