5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

C26H29N3O5S — CID 55657800

IUPAC5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1
InChIInChI=1S/C26H29N3O5S/c1-5-25(30)28-20-9-7-19(8-10-20)18(3)27-26(31)24-16-23(15-6-17(24)2)35(32,33)29-21-11-13-22(34-4)14-12-21/h6-16,18,29H,5H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyWAPWLQDPNIRAQV-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.64
Rot. Bonds9

About 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (PubChem CID 55657800) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
PubChem CID55657800
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1
InChIInChI=1S/C26H29N3O5S/c1-5-25(30)28-20-9-7-19(8-10-20)18(3)27-26(31)24-16-23(15-6-17(24)2)35(32,33)29-21-11-13-22(34-4)14-12-21/h6-16,18,29H,5H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyWAPWLQDPNIRAQV-UHFFFAOYSA-N
XLogP4.64
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55867079
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55868533
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281847
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55347598
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide (CID 55657800) is 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
The InChIKey is WAPWLQDPNIRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-5-25(30)28-20-9-7-19(8-10-20)18(3)27-26(31)24-16-23(15-6-17(24)2)35(32,33)29-21-11-13-22(34-4)14-12-21/h6-16,18,29H,5H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide?
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide has a molecular weight of 495.60 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 55657800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).