N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide

C17H19NO3S — CID 846701

IUPACN-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO3S/c1-12-4-7-14(8-5-12)22-11-17(19)18-15-10-13(20-2)6-9-16(15)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyNPKYSFJLCJGHJJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.74
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 846701) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID846701
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO3S/c1-12-4-7-14(8-5-12)22-11-17(19)18-15-10-13(20-2)6-9-16(15)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyNPKYSFJLCJGHJJ-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide
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N-(2-methoxy-5-methylphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 880073
2-(benzylthio)-N-(3-methoxyphenyl)propanamide
CID 2890397
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
Rac1-IN-5
CID 2198266
N-(4-Methoxy-phenyl)-2-p-tolylsulfanyl-acetamide
CID 788761
N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide
CID 879968
N-(2,5-dimethoxyphenyl)-2-(methylthio)benzamide
CID 966884
N-{2,5-dimethoxy-4-[(2-thienylacetyl)amino]phenyl}benzamide
CID 1164412
Thiophene-2-carboxylic acid (2,5-dimethoxy-4-phenylacetylamino-phenyl)-amide
CID 1428071
N-(2,5-dimethoxyphenyl)-4-(2-thienyl)benzenecarboxamide
CID 1483505

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 846701) is N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ccc(C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is NPKYSFJLCJGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-4-7-14(8-5-12)22-11-17(19)18-15-10-13(20-2)6-9-16(15)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 317.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 846701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).