3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide

C19H23NOS — CID 8573456

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1ccc(SCCC(=O)N[C@H](C)c2ccccc2)cc1C
InChIInChI=1S/C19H23NOS/c1-14-9-10-18(13-15(14)2)22-12-11-19(21)20-16(3)17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyHVQALFJBFNTXMK-MRXNPFEDSA-N
MW313.47 g/mol
LogP4.66
Rot. Bonds6

About 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 8573456) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
PubChem CID8573456
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
SMILESCc1ccc(SCCC(=O)N[C@H](C)c2ccccc2)cc1C
InChIInChI=1S/C19H23NOS/c1-14-9-10-18(13-15(14)2)22-12-11-19(21)20-16(3)17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyHVQALFJBFNTXMK-MRXNPFEDSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 51247309
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
3-benzylsulfanyl-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651265
S-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl] ethanethioate
CID 54240548
3-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-N-(1-phenylethyl)propanamide
CID 42883601
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65034689
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
3-(3,4-dimethylphenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107300545
3-(3,4-dimethylphenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120832196
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide (CID 8573456) is 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide is Cc1ccc(SCCC(=O)N[C@H](C)c2ccccc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is HVQALFJBFNTXMK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NOS/c1-14-9-10-18(13-15(14)2)22-12-11-19(21)20-16(3)17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 313.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 8573456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).