N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H14N4O3S2 — CID 8850796

IUPACN-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N4O3S2/c1-18(23(20,21)13-7-4-8-22-13)9-12(19)17-14-15-10-5-2-3-6-11(10)16-14/h2-8H,9H2,1H3,(H2,15,16,17,19)
InChIKeyVCGQLYSHFNEPHL-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.88
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 8850796) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID8850796
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N4O3S2/c1-18(23(20,21)13-7-4-8-22-13)9-12(19)17-14-15-10-5-2-3-6-11(10)16-14/h2-8H,9H2,1H3,(H2,15,16,17,19)
InChIKeyVCGQLYSHFNEPHL-UHFFFAOYSA-N
XLogP1.88
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 8850796) is N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is VCGQLYSHFNEPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-18(23(20,21)13-7-4-8-22-13)9-12(19)17-14-15-10-5-2-3-6-11(10)16-14/h2-8H,9H2,1H3,(H2,15,16,17,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 350.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 8850796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).