2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide

C14H18N2O2S — CID 64690055

IUPAC2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide
SMILESCCC(C)S(=O)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-4-10(2)19(18)11(3)14(17)16-13-7-5-6-12(8-13)9-15/h5-8,10-11H,4H2,1-3H3,(H,16,17)
InChIKeyZUNCRZMATGUZHW-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.43
Rot. Bonds5

About 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide

2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide (PubChem CID 64690055) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide
PubChem CID64690055
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide
SMILESCCC(C)S(=O)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-4-10(2)19(18)11(3)14(17)16-13-7-5-6-12(8-13)9-15/h5-8,10-11H,4H2,1-3H3,(H,16,17)
InChIKeyZUNCRZMATGUZHW-UHFFFAOYSA-N
XLogP2.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide 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

N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-methylbutanamide
CID 55939858
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001916
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
6-amino-N-(3-cyanophenyl)-2-methylheptanamide
CID 65292842

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide (CID 64690055) is 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide is CCC(C)S(=O)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide?
The InChIKey is ZUNCRZMATGUZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-10(2)19(18)11(3)14(17)16-13-7-5-6-12(8-13)9-15/h5-8,10-11H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide?
2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide has a molecular weight of 278.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 64690055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).