N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

C20H24N2O4S2 — CID 22427359

IUPACN-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESO=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c23-18(12-14-28(25,26)19-7-4-13-27-19)21-17-10-8-15(9-11-17)20(24)22-16-5-2-1-3-6-16/h4,7-11,13,16H,1-3,5-6,12,14H2,(H,21,23)(H,22,24)
InChIKeyLSJGDQRLRBNEKG-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.61
Rot. Bonds7

About N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (PubChem CID 22427359) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
PubChem CID22427359
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESO=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c23-18(12-14-28(25,26)19-7-4-13-27-19)21-17-10-8-15(9-11-17)20(24)22-16-5-2-1-3-6-16/h4,7-11,13,16H,1-3,5-6,12,14H2,(H,21,23)(H,22,24)
InChIKeyLSJGDQRLRBNEKG-UHFFFAOYSA-N
XLogP3.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 46246296
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cyclopentyl-4-[[4-(2-thiophen-2-ylethylsulfamoyl)benzoyl]amino]benzamide
CID 55959107
ethyl 3-[[4-(3-thiophen-2-ylsulfonylpropanoylamino)benzoyl]amino]benzoate
CID 46246295
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cyclohexyl-4-thiophen-2-ylbenzamide
CID 4861985
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
4-benzamido-N-cyclopentylbenzamide
CID 1262350

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The IUPAC name of N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (CID 22427359) is N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The canonical SMILES for N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The InChIKey is LSJGDQRLRBNEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c23-18(12-14-28(25,26)19-7-4-13-27-19)21-17-10-8-15(9-11-17)20(24)22-16-5-2-1-3-6-16/h4,7-11,13,16H,1-3,5-6,12,14H2,(H,21,23)(H,22,24).
What are the key properties of N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is sourced from PubChem (CID 22427359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).