(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide

C18H18N2OS — CID 7654903

IUPAC(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCc1ccccc1CS[C@@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H18N2OS/c1-13-6-3-4-8-16(13)12-22-14(2)18(21)20-17-9-5-7-15(10-17)11-19/h3-10,14H,12H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyVTTCXVQJMHIJDV-AWEZNQCLSA-N
MW310.42 g/mol
LogP4.13
Rot. Bonds5

About (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide

(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide (PubChem CID 7654903) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
PubChem CID7654903
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
SMILESCc1ccccc1CS[C@@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H18N2OS/c1-13-6-3-4-8-16(13)12-22-14(2)18(21)20-17-9-5-7-15(10-17)11-19/h3-10,14H,12H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyVTTCXVQJMHIJDV-AWEZNQCLSA-N
XLogP4.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-cyanothiophen-2-yl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 8972326
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide
CID 113118535
N-(3-cyanophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 51184709
N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452550
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 9274086

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide (CID 7654903) is (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide is Cc1ccccc1CS[C@@H](C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is VTTCXVQJMHIJDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13-6-3-4-8-16(13)12-22-14(2)18(21)20-17-9-5-7-15(10-17)11-19/h3-10,14H,12H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide?
(2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 310.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 7654903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).