N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide

C22H26N4O3S — CID 154840886

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C22H26N4O3S/c1-15-10-11-16(14-20(15)30(28,29)26-17-6-2-3-7-17)22(27)23-13-12-21-24-18-8-4-5-9-19(18)25-21/h4-5,8-11,14,17,26H,2-3,6-7,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyHLUYEAKGBXBUFE-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide (PubChem CID 154840886) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
PubChem CID154840886
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C22H26N4O3S/c1-15-10-11-16(14-20(15)30(28,29)26-17-6-2-3-7-17)22(27)23-13-12-21-24-18-8-4-5-9-19(18)25-21/h4-5,8-11,14,17,26H,2-3,6-7,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyHLUYEAKGBXBUFE-UHFFFAOYSA-N
XLogP3.06
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide
CID 719296
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide (CID 154840886) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
The InChIKey is HLUYEAKGBXBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-10-11-16(14-20(15)30(28,29)26-17-6-2-3-7-17)22(27)23-13-12-21-24-18-8-4-5-9-19(18)25-21/h4-5,8-11,14,17,26H,2-3,6-7,12-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide has a molecular weight of 426.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 154840886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).