N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

C20H25ClN2O4S — CID 5055466

IUPACN-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)13-22-28(25,26)17-8-4-15(5-9-17)6-11-20(24)23-16-7-10-19(27-3)18(21)12-16/h4-5,7-10,12,14,22H,6,11,13H2,1-3H3,(H,23,24)
InChIKeyYWOPMFYJXHKODR-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.85
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 5055466) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID5055466
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)13-22-28(25,26)17-8-4-15(5-9-17)6-11-20(24)23-16-7-10-19(27-3)18(21)12-16/h4-5,7-10,12,14,22H,6,11,13H2,1-3H3,(H,23,24)
InChIKeyYWOPMFYJXHKODR-UHFFFAOYSA-N
XLogP3.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211041
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
CID 126185320
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 57395389
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
4-(2-methoxy-5-methylphenyl)-N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxobutanamide
CID 108807460
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 5055466) is N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is YWOPMFYJXHKODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14(2)13-22-28(25,26)17-8-4-15(5-9-17)6-11-20(24)23-16-7-10-19(27-3)18(21)12-16/h4-5,7-10,12,14,22H,6,11,13H2,1-3H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 424.95 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 5055466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).