2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide

C20H26N2O3S — CID 132656255

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-17-11-13-19(14-12-17)22(26(4,24)25)16(3)20(23)21-15(2)18-9-7-6-8-10-18/h6-16H,5H2,1-4H3,(H,21,23)
InChIKeyQJRRZDVGXLVHGI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide

2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide (PubChem CID 132656255) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
PubChem CID132656255
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-17-11-13-19(14-12-17)22(26(4,24)25)16(3)20(23)21-15(2)18-9-7-6-8-10-18/h6-16H,5H2,1-4H3,(H,21,23)
InChIKeyQJRRZDVGXLVHGI-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823158
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 125052137
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 42563634
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133161659
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 125053738
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 92684693
N-[1-(4-ethylphenyl)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 133187797
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 28575427
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide
CID 99956482
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 93486888

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide (CID 132656255) is 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide is CCc1ccc(N(C(C)C(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
The InChIKey is QJRRZDVGXLVHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-17-11-13-19(14-12-17)22(26(4,24)25)16(3)20(23)21-15(2)18-9-7-6-8-10-18/h6-16H,5H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 132656255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).