N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide

C12H16N2O2S — CID 79193048

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
SMILESCc1sc(NC(=O)CCC(C)O)c(C#N)c1C
InChIInChI=1S/C12H16N2O2S/c1-7(15)4-5-11(16)14-12-10(6-13)8(2)9(3)17-12/h7,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyOIDLCBRUDGESRG-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.34
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide (PubChem CID 79193048) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
PubChem CID79193048
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
SMILESCc1sc(NC(=O)CCC(C)O)c(C#N)c1C
InChIInChI=1S/C12H16N2O2S/c1-7(15)4-5-11(16)14-12-10(6-13)8(2)9(3)17-12/h7,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyOIDLCBRUDGESRG-UHFFFAOYSA-N
XLogP2.34
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide 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-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
N-(3-cyano-4,5-dimethylthiophen-2-yl)decanamide
CID 4289593
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631857
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 19590846
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
(2S)-2-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 42352885
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496468
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410985
(2S,3S)-2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylpentanamide
CID 61254808

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide (CID 79193048) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide is Cc1sc(NC(=O)CCC(C)O)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide?
The InChIKey is OIDLCBRUDGESRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7(15)4-5-11(16)14-12-10(6-13)8(2)9(3)17-12/h7,15H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide has a molecular weight of 252.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide is sourced from PubChem (CID 79193048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).