N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide

C16H15N3O2S — CID 18108001

IUPACN-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-11-6-8-12(9-7-11)22-10-15(20)19-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H2,17,18,19,20)
InChIKeyMCEHOSDCZQNINC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.30
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 18108001) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID18108001
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-11-6-8-12(9-7-11)22-10-15(20)19-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H2,17,18,19,20)
InChIKeyMCEHOSDCZQNINC-UHFFFAOYSA-N
XLogP3.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
CID 2644334
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063843
N-(1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24539552
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
(3S)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29131530
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide
CID 17447987
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 18108001) is N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is MCEHOSDCZQNINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-11-6-8-12(9-7-11)22-10-15(20)19-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 313.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 18108001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).