2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

C14H18N2OS — CID 115175209

IUPAC2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(CCNC(=O)C(C)(C)C#N)cc1
InChIInChI=1S/C14H18N2OS/c1-14(2,10-15)13(17)16-9-8-11-4-6-12(18-3)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyNQJCDCNHPHKCHE-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.62
Rot. Bonds5

About 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide

2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 115175209) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID115175209
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(CCNC(=O)C(C)(C)C#N)cc1
InChIInChI=1S/C14H18N2OS/c1-14(2,10-15)13(17)16-9-8-11-4-6-12(18-3)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyNQJCDCNHPHKCHE-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093
1-(2,2-dimethylpropyl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776095
N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
1-methyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115169381
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341
(E)-4-[2-(4-methylsulfanylphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 115177285
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
2-methyl-1-[2-(4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 98015373
(2S)-2-amino-4-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pentanamide
CID 110482514
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide (CID 115175209) is 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is CSc1ccc(CCNC(=O)C(C)(C)C#N)cc1.
What is the InChIKey of 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is NQJCDCNHPHKCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,10-15)13(17)16-9-8-11-4-6-12(18-3)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide?
2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 262.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 115175209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).