3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

C19H23ClN2O3S — CID 113143992

IUPAC3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCc1c(Cl)cccc1N(CCC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-15-17(20)9-6-10-18(15)22(26(2,24)25)14-12-19(23)21-13-11-16-7-4-3-5-8-16/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyVHMAOINJWNLDQM-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.16
Rot. Bonds8

About 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (PubChem CID 113143992) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
PubChem CID113143992
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCc1c(Cl)cccc1N(CCC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-15-17(20)9-6-10-18(15)22(26(2,24)25)14-12-19(23)21-13-11-16-7-4-3-5-8-16/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyVHMAOINJWNLDQM-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113069981
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
CID 113059742
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144019
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113154876
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 53287737
2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 132738413
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30223013
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113127554

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (CID 113143992) is 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is Cc1c(Cl)cccc1N(CCC(=O)NCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The InChIKey is VHMAOINJWNLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-15-17(20)9-6-10-18(15)22(26(2,24)25)14-12-19(23)21-13-11-16-7-4-3-5-8-16/h3-10H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide has a molecular weight of 394.92 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 113143992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).