N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide

C24H30N4O4S — CID 53139096

IUPACN-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c3ccc(S(=O)(=O)N4CCCC4)cc32)c(C)c1
InChIInChI=1S/C24H30N4O4S/c1-16(2)28-21-10-8-19(33(31,32)26-11-5-6-12-26)14-22(21)27(24(28)30)15-23(29)25-20-9-7-17(3)13-18(20)4/h7-10,13-14,16H,5-6,11-12,15H2,1-4H3,(H,25,29)
InChIKeyFVUCADGDLYKMHG-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.42
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide

N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 53139096) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID53139096
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c3ccc(S(=O)(=O)N4CCCC4)cc32)c(C)c1
InChIInChI=1S/C24H30N4O4S/c1-16(2)28-21-10-8-19(33(31,32)26-11-5-6-12-26)14-22(21)27(24(28)30)15-23(29)25-20-9-7-17(3)13-18(20)4/h7-10,13-14,16H,5-6,11-12,15H2,1-4H3,(H,25,29)
InChIKeyFVUCADGDLYKMHG-UHFFFAOYSA-N
XLogP3.42
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139133
N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139129
N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139139
N-(2,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126393916
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853676
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-(2,3-dimethylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 23603586
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
N-(4-chloro-2-methylphenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992594
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 23603550
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546036

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (CID 53139096) is N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c3ccc(S(=O)(=O)N4CCCC4)cc32)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is FVUCADGDLYKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-16(2)28-21-10-8-19(33(31,32)26-11-5-6-12-26)14-22(21)27(24(28)30)15-23(29)25-20-9-7-17(3)13-18(20)4/h7-10,13-14,16H,5-6,11-12,15H2,1-4H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 470.60 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 53139096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).