3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide

C19H23NOS — CID 94027994

IUPAC3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
SMILESCC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-18(16-7-5-4-6-8-16)20-19(21)13-14-22-17-11-9-15(2)10-12-17/h4-12,18H,3,13-14H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyQXHKLSRGAYJVHB-GOSISDBHSA-N
MW313.47 g/mol
LogP4.74
Rot. Bonds7

About 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide

3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide (PubChem CID 94027994) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
PubChem CID94027994
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
SMILESCC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-18(16-7-5-4-6-8-16)20-19(21)13-14-22-17-11-9-15(2)10-12-17/h4-12,18H,3,13-14H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyQXHKLSRGAYJVHB-GOSISDBHSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
(2S)-3-hydroxy-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid
CID 61151903
[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937610
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide
CID 132651419
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide (CID 94027994) is 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide is CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide?
The InChIKey is QXHKLSRGAYJVHB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NOS/c1-3-18(16-7-5-4-6-8-16)20-19(21)13-14-22-17-11-9-15(2)10-12-17/h4-12,18H,3,13-14H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide?
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide has a molecular weight of 313.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide is sourced from PubChem (CID 94027994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).