N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide

C10H13NO2S — CID 58957123

IUPACN-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CS)cc1
InChIInChI=1S/C10H13NO2S/c1-13-9-4-2-8(3-5-9)6-11-10(12)7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyOGIUIVZCAFFQDK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.24
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide

N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide (PubChem CID 58957123) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
PubChem CID58957123
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CS)cc1
InChIInChI=1S/C10H13NO2S/c1-13-9-4-2-8(3-5-9)6-11-10(12)7-14/h2-5,14H,6-7H2,1H3,(H,11,12)
InChIKeyOGIUIVZCAFFQDK-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide (CID 58957123) is N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide is COc1ccc(CNC(=O)CS)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide?
The InChIKey is OGIUIVZCAFFQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-9-4-2-8(3-5-9)6-11-10(12)7-14/h2-5,14H,6-7H2,1H3,(H,11,12).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide?
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide has a molecular weight of 211.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide is sourced from PubChem (CID 58957123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).