N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C21H24N4O3S — CID 56555702

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCn1c(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)nc2ccccc21
InChIInChI=1S/C21H24N4O3S/c1-3-24-18-8-5-4-7-17(18)23-20(24)14-22-29(27,28)19-11-10-16(13-15(19)2)25-12-6-9-21(25)26/h4-5,7-8,10-11,13,22H,3,6,9,12,14H2,1-2H3
InChIKeyTVDXSHNJZZIDGN-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.97
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 56555702) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID56555702
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCn1c(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)nc2ccccc21
InChIInChI=1S/C21H24N4O3S/c1-3-24-18-8-5-4-7-17(18)23-20(24)14-22-29(27,28)19-11-10-16(13-15(19)2)25-12-6-9-21(25)26/h4-5,7-8,10-11,13,22H,3,6,9,12,14H2,1-2H3
InChIKeyTVDXSHNJZZIDGN-UHFFFAOYSA-N
XLogP2.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86848405
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51126451
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
naphthalen-2-yl 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769070
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
2-methyl-4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541173
4-fluoro-2-methyl-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzenesulfonamide
CID 110352078
2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 35393983
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 56555702) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CCn1c(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is TVDXSHNJZZIDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-24-18-8-5-4-7-17(18)23-20(24)14-22-29(27,28)19-11-10-16(13-15(19)2)25-12-6-9-21(25)26/h4-5,7-8,10-11,13,22H,3,6,9,12,14H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 56555702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).