2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide

C21H28N2O3S — CID 132658835

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-6-17-7-13-20(14-8-17)23(27(5,25)26)16(4)21(24)22-19-11-9-18(10-12-19)15(2)3/h7-16H,6H2,1-5H3,(H,22,24)
InChIKeyPKUMOBPWINBCGV-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.17
Rot. Bonds7

About 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide

2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 132658835) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID132658835
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCCc1ccc(N(C(C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-6-17-7-13-20(14-8-17)23(27(5,25)26)16(4)21(24)22-19-11-9-18(10-12-19)15(2)3/h7-16H,6H2,1-5H3,(H,22,24)
InChIKeyPKUMOBPWINBCGV-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 1333959
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 132662307
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
2-(4-ethyl-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 132656595
N-(3-chloro-2-methylphenyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132660099

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 132658835) is 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide is CCc1ccc(N(C(C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is PKUMOBPWINBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-17-7-13-20(14-8-17)23(27(5,25)26)16(4)21(24)22-19-11-9-18(10-12-19)15(2)3/h7-16H,6H2,1-5H3,(H,22,24).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 388.53 g/mol, XLogP of 4.17, 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-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 132658835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).