3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide

C19H22N2O4S — CID 110410830

IUPAC3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15(22)21-17-7-9-18(10-8-17)26(24,25)14-12-19(23)20-13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyFDUNCJGYJAHGJR-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.17
Rot. Bonds8

About 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide

3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide (PubChem CID 110410830) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
PubChem CID110410830
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15(22)21-17-7-9-18(10-8-17)26(24,25)14-12-19(23)20-13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyFDUNCJGYJAHGJR-UHFFFAOYSA-N
XLogP2.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 9391675
3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 110407414
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
N-[3-(4-acetamidophenyl)prop-2-ynyl]-3-(benzenesulfonyl)propanamide
CID 90551701
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
CID 86930314
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 110410097
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2405340

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide (CID 110410830) is 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The InChIKey is FDUNCJGYJAHGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15(22)21-17-7-9-18(10-8-17)26(24,25)14-12-19(23)20-13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide has a molecular weight of 374.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 110410830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).