N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide

C18H20N4O3S — CID 18116771

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
SMILESCCn1c(CNC(=O)c2ccc(S(=O)(=O)NC)cc2)nc2ccccc21
InChIInChI=1S/C18H20N4O3S/c1-3-22-16-7-5-4-6-15(16)21-17(22)12-20-18(23)13-8-10-14(11-9-13)26(24,25)19-2/h4-11,19H,3,12H2,1-2H3,(H,20,23)
InChIKeyNFZUNEWCSZDGDU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.89
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide (PubChem CID 18116771) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
PubChem CID18116771
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
SMILESCCn1c(CNC(=O)c2ccc(S(=O)(=O)NC)cc2)nc2ccccc21
InChIInChI=1S/C18H20N4O3S/c1-3-22-16-7-5-4-6-15(16)21-17(22)12-20-18(23)13-8-10-14(11-9-13)26(24,25)19-2/h4-11,19H,3,12H2,1-2H3,(H,20,23)
InChIKeyNFZUNEWCSZDGDU-UHFFFAOYSA-N
XLogP1.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 39969798
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900
6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 90650149
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55389787
N-[[4-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 55408744
3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 18116770
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55408997
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide (CID 18116771) is N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide is CCn1c(CNC(=O)c2ccc(S(=O)(=O)NC)cc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is NFZUNEWCSZDGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-22-16-7-5-4-6-15(16)21-17(22)12-20-18(23)13-8-10-14(11-9-13)26(24,25)19-2/h4-11,19H,3,12H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 372.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 18116771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).