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

C22H21NO3S — CID 2905290

IUPACN-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO3S/c1-25-17-13-14-20(26-2)19(15-17)23-22(24)21(16-9-5-3-6-10-16)27-18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24)
InChIKeyHMAVFTKBPUTVDU-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.18
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2905290) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2905290
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO3S/c1-25-17-13-14-20(26-2)19(15-17)23-22(24)21(16-9-5-3-6-10-16)27-18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24)
InChIKeyHMAVFTKBPUTVDU-UHFFFAOYSA-N
XLogP5.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.18
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-methoxyphenyl)-2-(methylthio)benzamide
CID 313103
N-(2,5-dimethoxyphenyl)-4-methylbenzamide
CID 531831
N-(2,5-dimethoxyphenyl)-4-phenylbutanamide
CID 836363
2-(benzylthio)-N-(3-methoxyphenyl)propanamide
CID 2890397
N-(2,5-dimethoxyphenyl)-2-phenylcyclopropanecarboxamide
CID 2931417
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
2-(4-ethylsulfonylphenyl)-N-[4-[2-(6-propan-2-yloxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]phenyl]acetamide
CID 164609694
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 531788
N-(2,5-dimethoxyphenyl)cyclohexanecarboxamide
CID 531821
Rac1-IN-5
CID 2198266
N-(2,5-dimethoxyphenyl)-2-(methylthio)benzamide
CID 966884

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2905290) is N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide is COc1ccc(OC)c(NC(=O)C(Sc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is HMAVFTKBPUTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-25-17-13-14-20(26-2)19(15-17)23-22(24)21(16-9-5-3-6-10-16)27-18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 379.48 g/mol, XLogP of 5.18, 7 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-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2905290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).