4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide

C19H21ClN2O5S — CID 108808280

IUPAC4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-22(2)28(25,26)15-7-5-14(6-8-15)21-19(24)11-9-17(23)16-12-13(20)4-10-18(16)27-3/h4-8,10,12H,9,11H2,1-3H3,(H,21,24)
InChIKeyCGTOHORLDJUYDX-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.20
Rot. Bonds8

About 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide (PubChem CID 108808280) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
PubChem CID108808280
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-22(2)28(25,26)15-7-5-14(6-8-15)21-19(24)11-9-17(23)16-12-13(20)4-10-18(16)27-3/h4-8,10,12H,9,11H2,1-3H3,(H,21,24)
InChIKeyCGTOHORLDJUYDX-UHFFFAOYSA-N
XLogP3.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
CID 108730998
4-(5-chloro-2-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 108727349
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide (CID 108808280) is 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide?
The InChIKey is CGTOHORLDJUYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-22(2)28(25,26)15-7-5-14(6-8-15)21-19(24)11-9-17(23)16-12-13(20)4-10-18(16)27-3/h4-8,10,12H,9,11H2,1-3H3,(H,21,24).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide has a molecular weight of 424.91 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 108808280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).