N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide

C17H19NO3S — CID 2707709

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3S/c1-20-15-9-8-13(10-16(15)21-2)11-18-17(19)12-22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyDUSDVYCPGWBJPA-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.11
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide (PubChem CID 2707709) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
PubChem CID2707709
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3S/c1-20-15-9-8-13(10-16(15)21-2)11-18-17(19)12-22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyDUSDVYCPGWBJPA-UHFFFAOYSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-amino-4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 79211970
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 28577640
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9454278
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2602652

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide (CID 2707709) is N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide is COc1ccc(CNC(=O)CSc2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is DUSDVYCPGWBJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-15-9-8-13(10-16(15)21-2)11-18-17(19)12-22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 317.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 2707709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).