N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide

C17H19ClN2O3S — CID 113154183

IUPACN-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-13-7-9-16(10-8-13)20(24(2,22)23)12-17(21)19-15-6-4-5-14(18)11-15/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyWGZZRQCSXCKOSV-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.31
Rot. Bonds6

About N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide

N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154183) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154183
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-13-7-9-16(10-8-13)20(24(2,22)23)12-17(21)19-15-6-4-5-14(18)11-15/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyWGZZRQCSXCKOSV-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
N-(4-bromo-3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 21372395
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 113154183) is N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is WGZZRQCSXCKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-13-7-9-16(10-8-13)20(24(2,22)23)12-17(21)19-15-6-4-5-14(18)11-15/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).