2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide

C17H19NOS — CID 9330230

IUPAC2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccccc1SCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-13-8-6-7-11-16(13)20-12-17(19)18-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeySEZKDAWARQDRSO-CQSZACIVSA-N
MW285.41 g/mol
LogP3.96
Rot. Bonds5

About 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9330230) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9330230
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESCc1ccccc1SCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-13-8-6-7-11-16(13)20-12-17(19)18-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeySEZKDAWARQDRSO-CQSZACIVSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium
CID 8937080
5-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 82854309
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51177619
2-(2-methylphenyl)sulfanyl-N-(1-pyrimidin-4-ylethyl)acetamide
CID 45196864
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide (CID 9330230) is 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide is Cc1ccccc1SCC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is SEZKDAWARQDRSO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-8-6-7-11-16(13)20-12-17(19)18-14(2)15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 285.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9330230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).