2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide

C13H20N2OS — CID 17371220

IUPAC2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(N)c(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-12(14)11(8)13(16)15-10-6-4-3-5-7-10/h10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyZEFSJUNPLLCVPS-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.01
Rot. Bonds2

About 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide

2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide (PubChem CID 17371220) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
PubChem CID17371220
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(N)c(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-12(14)11(8)13(16)15-10-6-4-3-5-7-10/h10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyZEFSJUNPLLCVPS-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 843789
2-amino-N-cyclopentyl-4-methylthiophene-3-carboxamide
CID 82056795
2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 874492
N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 45492077
1-(2-amino-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone
CID 126673235
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-[[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 17377206
(1R,2R,3R,4R)-3-[[3-(cyclohexylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 124717241
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
CID 65355341
(1R,2S,3R,4S)-3-[[3-(cyclopentylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51705925
2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide
CID 82056766

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide (CID 17371220) is 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide is Cc1sc(N)c(C(=O)NC2CCCCC2)c1C.
What is the InChIKey of 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is ZEFSJUNPLLCVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-9(2)17-12(14)11(8)13(16)15-10-6-4-3-5-7-10/h10H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide?
2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 17371220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).