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

C23H28N4O4S — CID 53139133

IUPACN-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(=O)n(C(C)C)c3ccc(S(=O)(=O)N4CCCC4)cc32)c1
InChIInChI=1S/C23H28N4O4S/c1-16(2)27-20-10-9-19(32(30,31)25-11-4-5-12-25)14-21(20)26(23(27)29)15-22(28)24-18-8-6-7-17(3)13-18/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3,(H,24,28)
InChIKeyNPQOTCRIYSNNCB-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.12
Rot. Bonds6

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

N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 53139133) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID53139133
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(=O)n(C(C)C)c3ccc(S(=O)(=O)N4CCCC4)cc32)c1
InChIInChI=1S/C23H28N4O4S/c1-16(2)27-20-10-9-19(32(30,31)25-11-4-5-12-25)14-21(20)26(23(27)29)15-22(28)24-18-8-6-7-17(3)13-18/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3,(H,24,28)
InChIKeyNPQOTCRIYSNNCB-UHFFFAOYSA-N
XLogP3.12
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.12
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-(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
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 19259569
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
N-(3-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064370
N-(3-methylphenyl)-1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106306
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 42913990
2-(2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(3-methylphenyl)acetamide
CID 50799723
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-fluorophenyl)acetamide
CID 23603552
2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9415053

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide (CID 53139133) is N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is Cc1cccc(NC(=O)Cn2c(=O)n(C(C)C)c3ccc(S(=O)(=O)N4CCCC4)cc32)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is NPQOTCRIYSNNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-16(2)27-20-10-9-19(32(30,31)25-11-4-5-12-25)14-21(20)26(23(27)29)15-22(28)24-18-8-6-7-17(3)13-18/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3,(H,24,28).
What are the key properties of N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide?
N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 456.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 53139133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).