2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

C19H23NOS — CID 8633805

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESCc1ccc(SCC(=O)NC[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C19H23NOS/c1-14-9-10-18(11-15(14)2)22-13-19(21)20-12-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyDTRQWFKJLPINNX-MRXNPFEDSA-N
MW313.47 g/mol
LogP4.32
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 8633805) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID8633805
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
SMILESCc1ccc(SCC(=O)NC[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C19H23NOS/c1-14-9-10-18(11-15(14)2)22-13-19(21)20-12-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyDTRQWFKJLPINNX-MRXNPFEDSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 112695519
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-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 8633965
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 103706138
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide (CID 8633805) is 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide is Cc1ccc(SCC(=O)NC[C@@H](C)c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is DTRQWFKJLPINNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NOS/c1-14-9-10-18(11-15(14)2)22-13-19(21)20-12-16(3)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 8633805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).