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

C17H19NOS2 — CID 46763178

IUPACN-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCCSc1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H19NOS2/c1-3-20-16-7-5-4-6-15(16)18-17(19)12-21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyVXLOEMHPLQFRBU-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.84
Rot. Bonds6

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

N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 46763178) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID46763178
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC NameN-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCCSc1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H19NOS2/c1-3-20-16-7-5-4-6-15(16)18-17(19)12-21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyVXLOEMHPLQFRBU-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
N-(2-ethylsulfanylphenyl)but-3-enamide
CID 162691877
ethyl 4-(2-ethylsulfanylanilino)-4-oxobutanoate
CID 61061323
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 94779353
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 42000152

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 46763178) is N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide is CCSc1ccccc1NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is VXLOEMHPLQFRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-3-20-16-7-5-4-6-15(16)18-17(19)12-21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 317.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 46763178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).