3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide

C19H21ClN2O4S — CID 33161073

IUPAC3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-18-10-9-16(27(24,25)22-15-7-8-15)12-17(18)21-19(23)11-4-13-2-5-14(20)6-3-13/h2-3,5-6,9-10,12,15,22H,4,7-8,11H2,1H3,(H,21,23)
InChIKeyNSJJVTWRAMFGBV-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.36
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide

3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 33161073) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID33161073
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-18-10-9-16(27(24,25)22-15-7-8-15)12-17(18)21-19(23)11-4-13-2-5-14(20)6-3-13/h2-3,5-6,9-10,12,15,22H,4,7-8,11H2,1H3,(H,21,23)
InChIKeyNSJJVTWRAMFGBV-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
CID 43047742
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
CID 30390392
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 92645790
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide (CID 33161073) is 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is NSJJVTWRAMFGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-18-10-9-16(27(24,25)22-15-7-8-15)12-17(18)21-19(23)11-4-13-2-5-14(20)6-3-13/h2-3,5-6,9-10,12,15,22H,4,7-8,11H2,1H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide?
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 408.91 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 33161073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).