2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide

C21H28N2O4S — CID 133161659

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCCc1ccc(N(C(C)C(=O)NC(C)c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-17-11-13-18(14-12-17)23(28(5,25)26)16(3)21(24)22-15(2)19-9-7-8-10-20(19)27-4/h7-16H,6H2,1-5H3,(H,22,24)
InChIKeySUBISXBEFHZAMX-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.29
Rot. Bonds8

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 133161659) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID133161659
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCCc1ccc(N(C(C)C(=O)NC(C)c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-17-11-13-18(14-12-17)23(28(5,25)26)16(3)21(24)22-15(2)19-9-7-8-10-20(19)27-4/h7-16H,6H2,1-5H3,(H,22,24)
InChIKeySUBISXBEFHZAMX-UHFFFAOYSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 125060507
(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 125064126
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160162
2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 132656255
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048959
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 125054358
(2S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 125052859
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133262204
2-(4-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 132656595
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670203
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 125054340
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]butanamide
CID 125051954

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide (CID 133161659) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide is CCc1ccc(N(C(C)C(=O)NC(C)c2ccccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is SUBISXBEFHZAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-17-11-13-18(14-12-17)23(28(5,25)26)16(3)21(24)22-15(2)19-9-7-8-10-20(19)27-4/h7-16H,6H2,1-5H3,(H,22,24).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 133161659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).