2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

C14H18N2OS — CID 112692010

IUPAC2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2OS/c1-11(10-18-3)16(2)14(17)8-12-4-6-13(9-15)7-5-12/h4-7,11H,8,10H2,1-3H3
InChIKeyBIZYLXAYMZXCLD-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (PubChem CID 112692010) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
PubChem CID112692010
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2OS/c1-11(10-18-3)16(2)14(17)8-12-4-6-13(9-15)7-5-12/h4-7,11H,8,10H2,1-3H3
InChIKeyBIZYLXAYMZXCLD-UHFFFAOYSA-N
XLogP2.31
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
2-(4-cyanophenyl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 113231690
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 62403845
ethyl (2S)-4-(4-cyanophenyl)-2-methyl-3-oxobutanoate
CID 129384790
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
2-(4-cyanophenyl)-N-(cyclobutylmethyl)-N-methylacetamide
CID 63611364
2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 54936321
ethyl (2S)-2-[(4-cyanophenyl)methyl-methylamino]propanoate
CID 129369530
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (CID 112692010) is 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is CSCC(C)N(C)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The InChIKey is BIZYLXAYMZXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(10-18-3)16(2)14(17)8-12-4-6-13(9-15)7-5-12/h4-7,11H,8,10H2,1-3H3.
What are the key properties of 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide has a molecular weight of 262.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 112692010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).