N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide

C18H19NO2S — CID 94779353

IUPACN-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide
SMILESCCC(=O)c1ccc(SCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H19NO2S/c1-3-17(20)14-8-10-15(11-9-14)22-12-18(21)19-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMGEHRGVTCPFHEE-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.32
Rot. Bonds6

About N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide

N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide (PubChem CID 94779353) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide
PubChem CID94779353
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide
SMILESCCC(=O)c1ccc(SCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H19NO2S/c1-3-17(20)14-8-10-15(11-9-14)22-12-18(21)19-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMGEHRGVTCPFHEE-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
3-methoxy-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19631535
2-(4-acetylphenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 94780327
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(2-methylphenyl)acetamide
CID 66349188
methyl 4-methyl-3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoate
CID 7402766
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide (CID 94779353) is N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide is CCC(=O)c1ccc(SCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide?
The InChIKey is MGEHRGVTCPFHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-3-17(20)14-8-10-15(11-9-14)22-12-18(21)19-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide?
N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide has a molecular weight of 313.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide is sourced from PubChem (CID 94779353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).