N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

C16H20N6OS2 — CID 3192304

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESCc1sc(NC(=O)CSc2nnnn2C2CCCCC2)c(C#N)c1C
InChIInChI=1S/C16H20N6OS2/c1-10-11(2)25-15(13(10)8-17)18-14(23)9-24-16-19-20-21-22(16)12-6-4-3-5-7-12/h12H,3-7,9H2,1-2H3,(H,18,23)
InChIKeyXMDUVSXYPFNFKW-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.46
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3192304) has the molecular formula C16H20N6OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
PubChem CID3192304
Molecular FormulaC16H20N6OS2
Molecular Weight376.51 g/mol
Exact Mass376.11
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESCc1sc(NC(=O)CSc2nnnn2C2CCCCC2)c(C#N)c1C
InChIInChI=1S/C16H20N6OS2/c1-10-11(2)25-15(13(10)8-17)18-14(23)9-24-16-19-20-21-22(16)12-6-4-3-5-7-12/h12H,3-7,9H2,1-2H3,(H,18,23)
InChIKeyXMDUVSXYPFNFKW-UHFFFAOYSA-N
XLogP3.46
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide 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-dimethyl-thiophen-2-yl)-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644712
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 645846
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 649137
N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 654553
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1457194
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212922
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212935
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-acetamide
CID 649297
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3212918
N-(3-Cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212971
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1H-tetrazol-1-yl)propanamide
CID 5298673
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 861931

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (CID 3192304) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is Cc1sc(NC(=O)CSc2nnnn2C2CCCCC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XMDUVSXYPFNFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS2/c1-10-11(2)25-15(13(10)8-17)18-14(23)9-24-16-19-20-21-22(16)12-6-4-3-5-7-12/h12H,3-7,9H2,1-2H3,(H,18,23).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 376.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3192304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).