N-(3-methylphenyl)-2-phenylsulfanylacetamide

C15H15NOS — CID 532042

IUPACN-(3-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C15H15NOS/c1-12-6-5-7-13(10-12)16-15(17)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyYQSBNGWFXIALFT-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.73
Rot. Bonds4

About N-(3-methylphenyl)-2-phenylsulfanylacetamide

N-(3-methylphenyl)-2-phenylsulfanylacetamide (PubChem CID 532042) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-phenylsulfanylacetamide
PubChem CID532042
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(3-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C15H15NOS/c1-12-6-5-7-13(10-12)16-15(17)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17)
InChIKeyYQSBNGWFXIALFT-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19630153
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N,N-dimethyl-3-[[2-(3-methylphenyl)sulfanylacetyl]amino]benzamide
CID 60594436
2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 21371554
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907338
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-phenylsulfanylacetamide (CID 532042) is N-(3-methylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-phenylsulfanylacetamide is Cc1cccc(NC(=O)CSc2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is YQSBNGWFXIALFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-12-6-5-7-13(10-12)16-15(17)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-(3-methylphenyl)-2-phenylsulfanylacetamide?
N-(3-methylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 257.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 532042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).