4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide

C19H23ClN2O3S — CID 53281001

IUPAC4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-7-17(12-14)21-19(23)8-5-11-22(26(3,24)25)18-13-16(20)10-9-15(18)2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,21,23)
InChIKeyWCFYHUIRUHEXHF-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.14
Rot. Bonds7

About 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide

4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide (PubChem CID 53281001) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
PubChem CID53281001
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-7-17(12-14)21-19(23)8-5-11-22(26(3,24)25)18-13-16(20)10-9-15(18)2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,21,23)
InChIKeyWCFYHUIRUHEXHF-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145
N-(3,4-difluorophenyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21367184
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144095
N-tert-butyl-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 53280894
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43886818
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 21366977
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
CID 43909078
4-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 21173770
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99130770
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
N-(3-bromophenyl)-4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 100771740

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide (CID 53281001) is 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1.
What is the InChIKey of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide?
The InChIKey is WCFYHUIRUHEXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-6-4-7-17(12-14)21-19(23)8-5-11-22(26(3,24)25)18-13-16(20)10-9-15(18)2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,21,23).
What are the key properties of 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide?
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide has a molecular weight of 394.92 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 53281001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).