N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide

C14H21NOS — CID 1245661

IUPACN-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NCC2CCCCC2)c1C
InChIInChI=1S/C14H21NOS/c1-10-11(2)17-9-13(10)14(16)15-8-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,15,16)
InChIKeyRFBPKLGKAXQGSA-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.68
Rot. Bonds3

About N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide

N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1245661) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide
PubChem CID1245661
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NCC2CCCCC2)c1C
InChIInChI=1S/C14H21NOS/c1-10-11(2)17-9-13(10)14(16)15-8-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,15,16)
InChIKeyRFBPKLGKAXQGSA-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide (CID 1245661) is N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)NCC2CCCCC2)c1C.
What is the InChIKey of N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is RFBPKLGKAXQGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-11(2)17-9-13(10)14(16)15-8-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide?
N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 251.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1245661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).