N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide

C16H25NOS — CID 55469565

IUPACN-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N(C)C2CCCCCC2)cc1C
InChIInChI=1S/C16H25NOS/c1-4-14-12(2)11-15(19-14)16(18)17(3)13-9-7-5-6-8-10-13/h11,13H,4-10H2,1-3H3
InChIKeyOOROAABTSASTIE-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.41
Rot. Bonds3

About N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide

N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide (PubChem CID 55469565) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide
PubChem CID55469565
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N(C)C2CCCCCC2)cc1C
InChIInChI=1S/C16H25NOS/c1-4-14-12(2)11-15(19-14)16(18)17(3)13-9-7-5-6-8-10-13/h11,13H,4-10H2,1-3H3
InChIKeyOOROAABTSASTIE-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide (CID 55469565) is N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide is CCc1sc(C(=O)N(C)C2CCCCCC2)cc1C.
What is the InChIKey of N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is OOROAABTSASTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-14-12(2)11-15(19-14)16(18)17(3)13-9-7-5-6-8-10-13/h11,13H,4-10H2,1-3H3.
What are the key properties of N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 279.45 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-ethyl-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 55469565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).