N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide

C22H25ClN4O4S — CID 53139129

IUPACN-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCC(C)n1c(=O)n(CC(=O)Nc2ccccc2Cl)c2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H25ClN4O4S/c1-15(2)27-19-10-9-16(32(30,31)25-11-5-6-12-25)13-20(19)26(22(27)29)14-21(28)24-18-8-4-3-7-17(18)23/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,24,28)
InChIKeyQTUBZEUESAOAPP-UHFFFAOYSA-N
MW476.99 g/mol
LogP3.46
Rot. Bonds6

About N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide

N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 53139129) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID53139129
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC NameN-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCC(C)n1c(=O)n(CC(=O)Nc2ccccc2Cl)c2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H25ClN4O4S/c1-15(2)27-19-10-9-16(32(30,31)25-11-5-6-12-25)13-20(19)26(22(27)29)14-21(28)24-18-8-4-3-7-17(18)23/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,24,28)
InChIKeyQTUBZEUESAOAPP-UHFFFAOYSA-N
XLogP3.46
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139096
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-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260081
N-[2-(3-methylthiophen-2-yl)ethyl]-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139139
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662712
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
N-(2-chlorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833493
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 27287862
N-(2,3-dimethylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 23603586
[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 25401892

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (CID 53139129) is N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is CC(C)n1c(=O)n(CC(=O)Nc2ccccc2Cl)c2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is QTUBZEUESAOAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-15(2)27-19-10-9-16(32(30,31)25-11-5-6-12-25)13-20(19)26(22(27)29)14-21(28)24-18-8-4-3-7-17(18)23/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,24,28).
What are the key properties of N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 476.99 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 53139129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).