4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide

C19H21ClN2O4S — CID 55895232

IUPAC4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C19H21ClN2O4S/c1-3-9-21-19(24)16-8-7-15(20)11-17(16)22-18(23)14-6-4-5-13(10-14)12-27(2,25)26/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVFYVICIYIAOSKP-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.28
Rot. Bonds7

About 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide

4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide (PubChem CID 55895232) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide
PubChem CID55895232
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C19H21ClN2O4S/c1-3-9-21-19(24)16-8-7-15(20)11-17(16)22-18(23)14-6-4-5-13(10-14)12-27(2,25)26/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVFYVICIYIAOSKP-UHFFFAOYSA-N
XLogP3.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55679771
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide
CID 55993625
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
CID 55896752
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide (CID 55895232) is 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide?
The InChIKey is VFYVICIYIAOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-3-9-21-19(24)16-8-7-15(20)11-17(16)22-18(23)14-6-4-5-13(10-14)12-27(2,25)26/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide?
4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55895232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).