2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide

C18H21ClN2O3S — CID 2968377

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-14-5-9-16(10-6-14)20-18(22)13(2)21(25(3,23)24)17-11-7-15(19)8-12-17/h5-13H,4H2,1-3H3,(H,20,22)
InChIKeyINYCDOFXFDUHDB-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.70
Rot. Bonds6

About 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide

2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide (PubChem CID 2968377) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
PubChem CID2968377
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-14-5-9-16(10-6-14)20-18(22)13(2)21(25(3,23)24)17-11-7-15(19)8-12-17/h5-13H,4H2,1-3H3,(H,20,22)
InChIKeyINYCDOFXFDUHDB-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.70
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-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 132658835
(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-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
CID 1289518
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 132662307
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
2-(4-chloro-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 2975660
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)propanamide
CID 2968294
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
(2S)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide (CID 2968377) is 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)C(C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
The InChIKey is INYCDOFXFDUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-4-14-5-9-16(10-6-14)20-18(22)13(2)21(25(3,23)24)17-11-7-15(19)8-12-17/h5-13H,4H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 2968377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).