2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C14H17N3O3S2 — CID 40551077

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)CSc2nc3ccccc3[nH]2)CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O3S2/c1-14(6-7-22(19,20)9-14)17-12(18)8-21-13-15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)/t14-/m1/s1
InChIKeyJEOVTRRRIPNCIN-CQSZACIVSA-N
MW339.44 g/mol
LogP1.35
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 40551077) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID40551077
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)CSc2nc3ccccc3[nH]2)CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O3S2/c1-14(6-7-22(19,20)9-14)17-12(18)8-21-13-15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)/t14-/m1/s1
InChIKeyJEOVTRRRIPNCIN-CQSZACIVSA-N
XLogP1.35
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41272854
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329623
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 9373371
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)acetamide
CID 2387242
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 6459655
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7756256
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7374604
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16539048
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoyl chloride
CID 135393737
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-bromo-4,5-dimethylphenyl)acetamide
CID 1019067

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 40551077) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@]1(NC(=O)CSc2nc3ccccc3[nH]2)CCS(=O)(=O)C1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is JEOVTRRRIPNCIN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-14(6-7-22(19,20)9-14)17-12(18)8-21-13-15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)/t14-/m1/s1.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 40551077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).