3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide

C14H21ClN2O3S — CID 113143958

IUPAC3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-9-16-14(18)8-10-17(21(3,19)20)13-7-5-6-12(15)11(13)2/h5-7H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyJSXXLWLZBRJGQG-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.33
Rot. Bonds7

About 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide

3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide (PubChem CID 113143958) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
PubChem CID113143958
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-9-16-14(18)8-10-17(21(3,19)20)13-7-5-6-12(15)11(13)2/h5-7H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyJSXXLWLZBRJGQG-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113069981
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144019
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113146595
(2R)-2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-[(2-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 100570148
3-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 50895515
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 53287737
(2R)-2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100595781
(2S)-2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100556220
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide?
The IUPAC name of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide (CID 113143958) is 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide?
The canonical SMILES for 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide is CCCNC(=O)CCN(c1cccc(Cl)c1C)S(C)(=O)=O.
What is the InChIKey of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide?
The InChIKey is JSXXLWLZBRJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-9-16-14(18)8-10-17(21(3,19)20)13-7-5-6-12(15)11(13)2/h5-7H,4,8-10H2,1-3H3,(H,16,18).
What are the key properties of 3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide?
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide has a molecular weight of 332.85 g/mol, XLogP of 2.33, 7 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-propylpropanamide is sourced from PubChem (CID 113143958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).