4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide

C16H25NOS — CID 114549705

IUPAC4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCC(C)C2)cc1CC
InChIInChI=1S/C16H25NOS/c1-4-6-14-12(5-2)10-15(19-14)16(18)17-13-8-7-11(3)9-13/h10-11,13H,4-9H2,1-3H3,(H,17,18)
InChIKeyRTJSUFBHHNABAX-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.18
Rot. Bonds5

About 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide

4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide (PubChem CID 114549705) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
PubChem CID114549705
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCC(C)C2)cc1CC
InChIInChI=1S/C16H25NOS/c1-4-6-14-12(5-2)10-15(19-14)16(18)17-13-8-7-11(3)9-13/h10-11,13H,4-9H2,1-3H3,(H,17,18)
InChIKeyRTJSUFBHHNABAX-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide (CID 114549705) is 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC2CCC(C)C2)cc1CC.
What is the InChIKey of 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide?
The InChIKey is RTJSUFBHHNABAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-6-14-12(5-2)10-15(19-14)16(18)17-13-8-7-11(3)9-13/h10-11,13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide?
4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide has a molecular weight of 279.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylcyclopentyl)-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 114549705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).