3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide

C17H19ClN2O4S — CID 113143839

IUPAC3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-8-6-14(7-9-16)19-17(21)10-11-20(25(2,22)23)15-5-3-4-13(18)12-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyMJIINAGCPUSRSF-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.14
Rot. Bonds7

About 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide

3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 113143839) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID113143839
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-8-6-14(7-9-16)19-17(21)10-11-20(25(2,22)23)15-5-3-4-13(18)12-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyMJIINAGCPUSRSF-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
3-(3-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113143842
N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167
4-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53285147
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide (CID 113143839) is 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is MJIINAGCPUSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-16-8-6-14(7-9-16)19-17(21)10-11-20(25(2,22)23)15-5-3-4-13(18)12-15/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide?
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 382.87 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113143839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).