2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide

C13H18N2O2S — CID 1245075

IUPAC2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)C2CCC2)s1
InChIInChI=1S/C13H18N2O2S/c1-7(2)10-6-9(11(14)16)13(18-10)15-12(17)8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyGRUOPFSBBIKLCR-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.71
Rot. Bonds4

About 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide

2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 1245075) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide
PubChem CID1245075
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)C2CCC2)s1
InChIInChI=1S/C13H18N2O2S/c1-7(2)10-6-9(11(14)16)13(18-10)15-12(17)8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyGRUOPFSBBIKLCR-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide (CID 1245075) is 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(N)=O)c(NC(=O)C2CCC2)s1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is GRUOPFSBBIKLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-7(2)10-6-9(11(14)16)13(18-10)15-12(17)8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide?
2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 1245075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).