2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C19H22ClNOS — CID 92672507

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H22ClNOS/c1-3-18(16-8-4-14(2)5-9-16)21-19(22)13-23-12-15-6-10-17(20)11-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyMMSROOVJFBGJBK-GOSISDBHSA-N
MW347.91 g/mol
LogP5.15
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 92672507) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID92672507
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H22ClNOS/c1-3-18(16-8-4-14(2)5-9-16)21-19(22)13-23-12-15-6-10-17(20)11-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyMMSROOVJFBGJBK-GOSISDBHSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.91
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296915
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43387373
N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 132652658
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636263
ethyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]propanoate
CID 61343328
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636252
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 92672507) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is MMSROOVJFBGJBK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClNOS/c1-3-18(16-8-4-14(2)5-9-16)21-19(22)13-23-12-15-6-10-17(20)11-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 347.91 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 92672507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).