N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide

C17H17N3O3S — CID 75496781

IUPACN-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc3[nH]cnc23)cc1S(C)(=O)=O
InChIInChI=1S/C17H17N3O3S/c1-3-11-7-8-12(9-15(11)24(2,22)23)17(21)20-14-6-4-5-13-16(14)19-10-18-13/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNLIBBUPAYNTRKZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.78
Rot. Bonds4

About N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide

N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide (PubChem CID 75496781) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide
PubChem CID75496781
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc3[nH]cnc23)cc1S(C)(=O)=O
InChIInChI=1S/C17H17N3O3S/c1-3-11-7-8-12(9-15(11)24(2,22)23)17(21)20-14-6-4-5-13-16(14)19-10-18-13/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNLIBBUPAYNTRKZ-UHFFFAOYSA-N
XLogP2.78
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[4-(1H-benzimidazol-4-ylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112523133
4-ethyl-3-methylsulfonylbenzoic acid
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N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
CID 146374973
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925
N-[2-(methylaminomethyl)phenyl]-3H-benzimidazole-5-carboxamide
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(2R)-N-(1H-benzimidazol-4-yl)-2-methoxy-2-phenylacetamide
CID 95630343
4-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 59279265
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate
CID 110428318
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide
CID 141151622

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide (CID 75496781) is N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide is CCc1ccc(C(=O)Nc2cccc3[nH]cnc23)cc1S(C)(=O)=O.
What is the InChIKey of N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide?
The InChIKey is NLIBBUPAYNTRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-11-7-8-12(9-15(11)24(2,22)23)17(21)20-14-6-4-5-13-16(14)19-10-18-13/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide?
N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide has a molecular weight of 343.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 75496781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).