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

C22H27N5O4S — CID 19259569

IUPAC2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)c1
InChIInChI=1S/C22H27N5O4S/c1-16-5-4-6-17(13-16)23-21(28)15-26-9-11-27(12-10-26)32(30,31)18-7-8-19-20(14-18)25(3)22(29)24(19)2/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)
InChIKeyMZVSGRCOESJXKL-UHFFFAOYSA-N
MW457.56 g/mol
LogP1.13
Rot. Bonds5

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

2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 19259569) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID19259569
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)c1
InChIInChI=1S/C22H27N5O4S/c1-16-5-4-6-17(13-16)23-21(28)15-26-9-11-27(12-10-26)32(30,31)18-7-8-19-20(14-18)25(3)22(29)24(19)2/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)
InChIKeyMZVSGRCOESJXKL-UHFFFAOYSA-N
XLogP1.13
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.13
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-(3,4-dimethylphenyl)acetamide
CID 19259576
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 42913990
N-(3-methylphenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139133
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 9304443
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
1,3-dimethyl-5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259544
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 31373840
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 19259569) is 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)c1.
What is the InChIKey of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is MZVSGRCOESJXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-16-5-4-6-17(13-16)23-21(28)15-26-9-11-27(12-10-26)32(30,31)18-7-8-19-20(14-18)25(3)22(29)24(19)2/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28).
What are the key properties of 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 457.56 g/mol, XLogP of 1.13, 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-methylphenyl)acetamide is sourced from PubChem (CID 19259569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).