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

C20H25ClN2O3S — CID 1307264

IUPACN-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)13-22-27(25,26)18-8-4-16(5-9-18)6-11-20(24)23-19-10-7-17(21)12-15(19)3/h4-5,7-10,12,14,22H,6,11,13H2,1-3H3,(H,23,24)
InChIKeyDFDRXSQUDNWXGK-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.15
Rot. Bonds8

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

N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 1307264) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID1307264
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-14(2)13-22-27(25,26)18-8-4-16(5-9-18)6-11-20(24)23-19-10-7-17(21)12-15(19)3/h4-5,7-10,12,14,22H,6,11,13H2,1-3H3,(H,23,24)
InChIKeyDFDRXSQUDNWXGK-UHFFFAOYSA-N
XLogP4.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 1307264) is N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is Cc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is DFDRXSQUDNWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-14(2)13-22-27(25,26)18-8-4-16(5-9-18)6-11-20(24)23-19-10-7-17(21)12-15(19)3/h4-5,7-10,12,14,22H,6,11,13H2,1-3H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 408.95 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1307264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).