N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide

C15H20N2O3S — CID 107766914

IUPACN-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O3S/c1-10(2)11(3)21(19,20)12(4)15(18)17-14-7-5-6-13(8-14)9-16/h5-8,10-12H,1-4H3,(H,17,18)
InChIKeyHVANVBUDTVJBEM-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.34
Rot. Bonds5

About N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide

N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide (PubChem CID 107766914) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
PubChem CID107766914
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O3S/c1-10(2)11(3)21(19,20)12(4)15(18)17-14-7-5-6-13(8-14)9-16/h5-8,10-12H,1-4H3,(H,17,18)
InChIKeyHVANVBUDTVJBEM-UHFFFAOYSA-N
XLogP2.34
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)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

(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309828
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64690055
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749943

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide (CID 107766914) is N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide is CC(C)C(C)S(=O)(=O)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
The InChIKey is HVANVBUDTVJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)11(3)21(19,20)12(4)15(18)17-14-7-5-6-13(8-14)9-16/h5-8,10-12H,1-4H3,(H,17,18).
What are the key properties of N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide?
N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide is sourced from PubChem (CID 107766914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).