2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide

C14H22N2OS — CID 82056766

IUPAC2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide
SMILESCC(C)(C)c1csc(N)c1C(=O)NC1CCCC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)10-8-18-12(15)11(10)13(17)16-9-6-4-5-7-9/h8-9H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyBUPDQLWXRTYATM-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.30
Rot. Bonds2

About 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide

2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide (PubChem CID 82056766) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide
PubChem CID82056766
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide
SMILESCC(C)(C)c1csc(N)c1C(=O)NC1CCCC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)10-8-18-12(15)11(10)13(17)16-9-6-4-5-7-9/h8-9H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyBUPDQLWXRTYATM-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide (CID 82056766) is 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide is CC(C)(C)c1csc(N)c1C(=O)NC1CCCC1.
What is the InChIKey of 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide?
The InChIKey is BUPDQLWXRTYATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)10-8-18-12(15)11(10)13(17)16-9-6-4-5-7-9/h8-9H,4-7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide?
2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-tert-butyl-N-cyclopentylthiophene-3-carboxamide is sourced from PubChem (CID 82056766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).