3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide

C22H26N2O4S — CID 55612715

IUPAC3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1
InChIInChI=1S/C22H26N2O4S/c1-16(25)23-21(17-8-3-2-4-9-17)15-22(26)24-18-10-7-13-20(14-18)29(27,28)19-11-5-6-12-19/h2-4,7-10,13-14,19,21H,5-6,11-12,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyNHKIDDQRULRPFL-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.61
Rot. Bonds7

About 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide

3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide (PubChem CID 55612715) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
PubChem CID55612715
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1
InChIInChI=1S/C22H26N2O4S/c1-16(25)23-21(17-8-3-2-4-9-17)15-22(26)24-18-10-7-13-20(14-18)29(27,28)19-11-5-6-12-19/h2-4,7-10,13-14,19,21H,5-6,11-12,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyNHKIDDQRULRPFL-UHFFFAOYSA-N
XLogP3.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
CID 42957046
(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752777
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2094762
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide (CID 55612715) is 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide?
The InChIKey is NHKIDDQRULRPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-16(25)23-21(17-8-3-2-4-9-17)15-22(26)24-18-10-7-13-20(14-18)29(27,28)19-11-5-6-12-19/h2-4,7-10,13-14,19,21H,5-6,11-12,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide?
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-3-phenylpropanamide has a molecular weight of 414.53 g/mol, XLogP of 3.61, 7 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)-3-phenylpropanamide is sourced from PubChem (CID 55612715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).