N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide

C14H18N2O3S — CID 64692660

IUPACN-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
SMILESCC(C)S(=O)(=O)CCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H18N2O3S/c1-11(2)20(18,19)9-5-8-14(17)16-13-7-4-3-6-12(13)10-15/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyASGYXOZTKYYBKF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.10
Rot. Bonds6

About N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide

N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide (PubChem CID 64692660) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
PubChem CID64692660
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
SMILESCC(C)S(=O)(=O)CCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H18N2O3S/c1-11(2)20(18,19)9-5-8-14(17)16-13-7-4-3-6-12(13)10-15/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyASGYXOZTKYYBKF-UHFFFAOYSA-N
XLogP2.10
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide 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-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
CID 63172628
N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 64690595
N-(2-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982248
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
N-(2-cyanophenyl)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63659032
N-(2-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554
N-(2-cyanophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106669459
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
CID 103283763

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide?
The IUPAC name of N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide (CID 64692660) is N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide is CC(C)S(=O)(=O)CCCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide?
The InChIKey is ASGYXOZTKYYBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(2)20(18,19)9-5-8-14(17)16-13-7-4-3-6-12(13)10-15/h3-4,6-7,11H,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide?
N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide has a molecular weight of 294.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide is sourced from PubChem (CID 64692660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).