2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

C18H21NOS — CID 9302261

IUPAC2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESCc1ccccc1SCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-14-8-6-7-11-17(14)21-13-18(20)19-12-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyOVVDCCHZTLUGJX-OAHLLOKOSA-N
MW299.44 g/mol
LogP4.01
Rot. Bonds6

About 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 9302261) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID9302261
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESCc1ccccc1SCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-14-8-6-7-11-17(14)21-13-18(20)19-12-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyOVVDCCHZTLUGJX-OAHLLOKOSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 119995100
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 125175442
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (CID 9302261) is 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide is Cc1ccccc1SCC(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is OVVDCCHZTLUGJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14-8-6-7-11-17(14)21-13-18(20)19-12-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.01, 6 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-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 9302261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).