N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C15H19N3O3S2 — CID 3300900

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)N(C)C3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C15H19N3O3S2/c1-10-3-4-12-13(7-10)17-15(16-12)22-8-14(19)18(2)11-5-6-23(20,21)9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyNIYAJCNNDZCAHM-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.61
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 3300900) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID3300900
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)N(C)C3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C15H19N3O3S2/c1-10-3-4-12-13(7-10)17-15(16-12)22-8-14(19)18(2)11-5-6-23(20,21)9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyNIYAJCNNDZCAHM-UHFFFAOYSA-N
XLogP1.61
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 3300900) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)N(C)C3CCS(=O)(=O)C3)[nH]c2c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is NIYAJCNNDZCAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-10-3-4-12-13(7-10)17-15(16-12)22-8-14(19)18(2)11-5-6-23(20,21)9-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3300900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).