2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide

C24H26N2O4S — CID 2194165

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-17-25-24(27)22-11-7-8-12-23(22)26(18-19-9-5-4-6-10-19)31(28,29)21-15-13-20(30-2)14-16-21/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyHWYPFZACYTXZSA-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.23
Rot. Bonds9

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 2194165) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
PubChem CID2194165
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-17-25-24(27)22-11-7-8-12-23(22)26(18-19-9-5-4-6-10-19)31(28,29)21-15-13-20(30-2)14-16-21/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeyHWYPFZACYTXZSA-UHFFFAOYSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-phenylpropyl)benzamide
CID 133185362
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 21372381
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(1-phenylpropyl)benzamide
CID 43876399
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
CID 2271284
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46764222
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 99644735
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzamide
CID 126307592
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 100575682
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 2262005
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1284888

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide (CID 2194165) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is HWYPFZACYTXZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-17-25-24(27)22-11-7-8-12-23(22)26(18-19-9-5-4-6-10-19)31(28,29)21-15-13-20(30-2)14-16-21/h4-16H,3,17-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 2194165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).