3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide

C23H22N4O3S — CID 46664877

IUPAC3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22N4O3S/c1-27(18-9-3-2-4-10-18)31(29,30)19-11-7-8-17(16-19)24-23(28)15-14-22-25-20-12-5-6-13-21(20)26-22/h2-13,16H,14-15H2,1H3,(H,24,28)(H,25,26)
InChIKeyMXTMYLQHPOTPQG-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.96
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (PubChem CID 46664877) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
PubChem CID46664877
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22N4O3S/c1-27(18-9-3-2-4-10-18)31(29,30)19-11-7-8-17(16-19)24-23(28)15-14-22-25-20-12-5-6-13-21(20)26-22/h2-13,16H,14-15H2,1H3,(H,24,28)(H,25,26)
InChIKeyMXTMYLQHPOTPQG-UHFFFAOYSA-N
XLogP3.96
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 27450180
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 35955668
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 29358158
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide
CID 26739273

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (CID 46664877) is 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is MXTMYLQHPOTPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-27(18-9-3-2-4-10-18)31(29,30)19-11-7-8-17(16-19)24-23(28)15-14-22-25-20-12-5-6-13-21(20)26-22/h2-13,16H,14-15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 434.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 46664877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).