2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide

C23H29N5O4S — CID 19259576

IUPAC2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1C
InChIInChI=1S/C23H29N5O4S/c1-16-5-6-18(13-17(16)2)24-22(29)15-27-9-11-28(12-10-27)33(31,32)19-7-8-20-21(14-19)26(4)23(30)25(20)3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,29)
InChIKeyUSUZXRZUUZIXKS-UHFFFAOYSA-N
MW471.58 g/mol
LogP1.44
Rot. Bonds5

About 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 19259576) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID19259576
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1C
InChIInChI=1S/C23H29N5O4S/c1-16-5-6-18(13-17(16)2)24-22(29)15-27-9-11-28(12-10-27)33(31,32)19-7-8-20-21(14-19)26(4)23(30)25(20)3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,29)
InChIKeyUSUZXRZUUZIXKS-UHFFFAOYSA-N
XLogP1.44
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 19259569
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17390954
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 3929421
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 71903893
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053
N-(3-fluoro-4-methylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4244458
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(4-fluorophenyl)-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 18192065
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 50784533
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655508
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 19259576) is 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1C.
What is the InChIKey of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is USUZXRZUUZIXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-16-5-6-18(13-17(16)2)24-22(29)15-27-9-11-28(12-10-27)33(31,32)19-7-8-20-21(14-19)26(4)23(30)25(20)3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,29).
What are the key properties of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 19259576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).