3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide

C21H24ClN3O4S — CID 25497237

IUPAC3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O4S/c1-2-12-25(30(28,29)19-10-6-16(22)7-11-19)14-20(26)23-18-5-3-4-15(13-18)21(27)24-17-8-9-17/h3-7,10-11,13,17H,2,8-9,12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyCHHCJXPUTOWSIO-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.27
Rot. Bonds9

About 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 25497237) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID25497237
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O4S/c1-2-12-25(30(28,29)19-10-6-16(22)7-11-19)14-20(26)23-18-5-3-4-15(13-18)21(27)24-17-8-9-17/h3-7,10-11,13,17H,2,8-9,12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyCHHCJXPUTOWSIO-UHFFFAOYSA-N
XLogP3.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[1-(4-chlorophenyl)ethyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 46573730
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1311794
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
3-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 18127274
3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
CID 26993661
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 1329241
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 38171779
N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
1-(4-chlorophenyl)sulfonyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 26993774
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate
CID 49149265

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide (CID 25497237) is 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide is CCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is CHHCJXPUTOWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-2-12-25(30(28,29)19-10-6-16(22)7-11-19)14-20(26)23-18-5-3-4-15(13-18)21(27)24-17-8-9-17/h3-7,10-11,13,17H,2,8-9,12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 449.96 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-chlorophenyl)sulfonyl-propylamino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 25497237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).