3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide

C21H24N2O4S — CID 46473011

IUPAC3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)ccc1C
InChIInChI=1S/C21H24N2O4S/c1-14-10-11-16(12-20(14)22-15(2)24)21(25)23-17-6-5-9-19(13-17)28(26,27)18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVUONXXZIMWEFAL-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.92
Rot. Bonds5

About 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide

3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide (PubChem CID 46473011) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide
PubChem CID46473011
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)ccc1C
InChIInChI=1S/C21H24N2O4S/c1-14-10-11-16(12-20(14)22-15(2)24)21(25)23-17-6-5-9-19(13-17)28(26,27)18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVUONXXZIMWEFAL-UHFFFAOYSA-N
XLogP3.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39207980
N-(5-amino-2-methylphenyl)-4-cyclopentylsulfonylbenzamide;hydrochloride
CID 120568913
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
CID 86815081
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide
CID 155781142
N-(3-cyclopentylsulfonylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55612855
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
CID 55612715
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 38945156

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide (CID 46473011) is 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide is CC(=O)Nc1cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)ccc1C.
What is the InChIKey of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide?
The InChIKey is VUONXXZIMWEFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14-10-11-16(12-20(14)22-15(2)24)21(25)23-17-6-5-9-19(13-17)28(26,27)18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide?
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide is sourced from PubChem (CID 46473011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).