N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide

C25H21N3O4S2 — CID 25124870

IUPACN-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCc1cccc2scc(Cn3c(=O)n(CC(=O)NS(=O)(=O)c4ccccc4)c4ccccc43)c12
InChIInChI=1S/C25H21N3O4S2/c1-17-8-7-13-22-24(17)18(16-33-22)14-27-20-11-5-6-12-21(20)28(25(27)30)15-23(29)26-34(31,32)19-9-3-2-4-10-19/h2-13,16H,14-15H2,1H3,(H,26,29)
InChIKeyQXBHMONMCGKNFO-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.88
Rot. Bonds6

About N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide

N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide (PubChem CID 25124870) has the molecular formula C25H21N3O4S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide
PubChem CID25124870
Molecular FormulaC25H21N3O4S2
Molecular Weight491.59 g/mol
Exact Mass491.10
IUPAC NameN-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide
SMILESCc1cccc2scc(Cn3c(=O)n(CC(=O)NS(=O)(=O)c4ccccc4)c4ccccc43)c12
InChIInChI=1S/C25H21N3O4S2/c1-17-8-7-13-22-24(17)18(16-33-22)14-27-20-11-5-6-12-21(20)28(25(27)30)15-23(29)26-34(31,32)19-9-3-2-4-10-19/h2-13,16H,14-15H2,1H3,(H,26,29)
InChIKeyQXBHMONMCGKNFO-UHFFFAOYSA-N
XLogP3.88
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]ethylsulfonyl]acetamide
CID 59497302
3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]octanoic acid
CID 25126550
3-[6-(2-hydroxyethylcarbamoyl)-3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid
CID 59497385
ethyl (2S)-2-[6-methyl-3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]-5-phenylpentanoate
CID 67359317
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
carbonic acid;1-(cyclopentylmethyl)-3-[(1,4-dimethylindol-3-yl)methyl]benzimidazol-2-one
CID 67361289
N-(benzenesulfonyl)-3-[3-[1-(4-methyl-1H-indol-3-yl)ethyl]-2-oxobenzimidazol-1-yl]hexanamide
CID 67360864
(4-methyl-1-benzothiophen-3-yl)methyl 2,2,2-trifluoroacetate
CID 11208073
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47060824
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-propylacetamide
CID 42792947
(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide (CID 25124870) is N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide is Cc1cccc2scc(Cn3c(=O)n(CC(=O)NS(=O)(=O)c4ccccc4)c4ccccc43)c12.
What is the InChIKey of N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide?
The InChIKey is QXBHMONMCGKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S2/c1-17-8-7-13-22-24(17)18(16-33-22)14-27-20-11-5-6-12-21(20)28(25(27)30)15-23(29)26-34(31,32)19-9-3-2-4-10-19/h2-13,16H,14-15H2,1H3,(H,26,29).
What are the key properties of N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide?
N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide has a molecular weight of 491.59 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 25124870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).