N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide

C16H17NO3S — CID 532046

IUPACN-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C16H17NO3S/c1-19-12-8-9-15(20-2)14(10-12)17-16(18)11-21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyDQTUHVGJPPLSIT-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.43
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 532046) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide
PubChem CID532046
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C16H17NO3S/c1-19-12-8-9-15(20-2)14(10-12)17-16(18)11-21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyDQTUHVGJPPLSIT-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
N-(2,5-Dimethoxyphenyl)-2-iodoacetamide
CID 33652
2-(benzylthio)-N-(3-methoxyphenyl)propanamide
CID 2890397
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
N-(2-ethoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3360803
S-[2-(3-methoxyanilino)-2-oxoethyl] thiocarbamate
CID 671768
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 531788
N-(2,5-Dimethoxyphenyl)butanamide
CID 306871
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 137353879
2',5'-Dimethoxypropionanilide
CID 730454

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide (CID 532046) is N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is DQTUHVGJPPLSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-19-12-8-9-15(20-2)14(10-12)17-16(18)11-21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 303.38 g/mol, XLogP of 3.43, 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-phenylsulfanylacetamide is sourced from PubChem (CID 532046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).