4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide

C18H21ClN2O4S — CID 55828058

IUPAC4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-11-10-15(12-16(17)21-26(2,23)24)20-18(22)5-3-4-13-6-8-14(19)9-7-13/h6-12,21H,3-5H2,1-2H3,(H,20,22)
InChIKeyRCRDXRZBXRNBRE-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.68
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide

4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide (PubChem CID 55828058) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
PubChem CID55828058
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-11-10-15(12-16(17)21-26(2,23)24)20-18(22)5-3-4-13-6-8-14(19)9-7-13/h6-12,21H,3-5H2,1-2H3,(H,20,22)
InChIKeyRCRDXRZBXRNBRE-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 55788529
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
CID 60509529
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
2-(2,4-dichlorophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 37259252
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide (CID 55828058) is 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide is COc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide?
The InChIKey is RCRDXRZBXRNBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-17-11-10-15(12-16(17)21-26(2,23)24)20-18(22)5-3-4-13-6-8-14(19)9-7-13/h6-12,21H,3-5H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide?
4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide has a molecular weight of 396.90 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide is sourced from PubChem (CID 55828058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).