4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide

C21H25ClN2O4S — CID 52845031

IUPAC4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-5-12-29(27,28)19-9-7-6-8-16(19)20(25)23-18-13-15(10-11-17(18)22)21(26)24(4)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,23,25)
InChIKeyAJOUEMJQQSAEIY-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.26
Rot. Bonds7

About 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide

4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide (PubChem CID 52845031) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide
PubChem CID52845031
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-5-12-29(27,28)19-9-7-6-8-16(19)20(25)23-18-13-15(10-11-17(18)22)21(26)24(4)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,23,25)
InChIKeyAJOUEMJQQSAEIY-UHFFFAOYSA-N
XLogP4.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
CID 55916096
dimethyl 2-[(2-propylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 17224739
3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119309782
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 24684132
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
CID 17224852
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
CID 39915950
4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide
CID 119759883
4-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoylamino]butanoic acid
CID 122079613
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide (CID 52845031) is 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide is CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide?
The InChIKey is AJOUEMJQQSAEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-5-12-29(27,28)19-9-7-6-8-16(19)20(25)23-18-13-15(10-11-17(18)22)21(26)24(4)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,23,25).
What are the key properties of 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide?
4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide has a molecular weight of 436.96 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 52845031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).