N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide

C12H17NOS — CID 86016933

IUPACN-tert-butyl-N-prop-2-enylthiophene-3-carboxamide
SMILESC=CCN(C(=O)c1ccsc1)C(C)(C)C
InChIInChI=1S/C12H17NOS/c1-5-7-13(12(2,3)4)11(14)10-6-8-15-9-10/h5-6,8-9H,1,7H2,2-4H3
InChIKeyOPXFTKQTBUCIKE-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.17
Rot. Bonds3

About N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide

N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide (PubChem CID 86016933) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-prop-2-enylthiophene-3-carboxamide
PubChem CID86016933
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-tert-butyl-N-prop-2-enylthiophene-3-carboxamide
SMILESC=CCN(C(=O)c1ccsc1)C(C)(C)C
InChIInChI=1S/C12H17NOS/c1-5-7-13(12(2,3)4)11(14)10-6-8-15-9-10/h5-6,8-9H,1,7H2,2-4H3
InChIKeyOPXFTKQTBUCIKE-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide?
The IUPAC name of N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide (CID 86016933) is N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide?
The canonical SMILES for N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide is C=CCN(C(=O)c1ccsc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide?
The InChIKey is OPXFTKQTBUCIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-5-7-13(12(2,3)4)11(14)10-6-8-15-9-10/h5-6,8-9H,1,7H2,2-4H3.
What are the key properties of N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide?
N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide has a molecular weight of 223.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide is sourced from PubChem (CID 86016933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).