5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide

C12H14N2O2S — CID 18136375

IUPAC5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H14N2O2S/c1-2-7-13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,16)(H,14,15)
InChIKeyMWYYWBKTXMQCLP-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.01
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 18136375) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID18136375
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H14N2O2S/c1-2-7-13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,16)(H,14,15)
InChIKeyMWYYWBKTXMQCLP-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide (CID 18136375) is 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is MWYYWBKTXMQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-7-13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,16)(H,14,15).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 18136375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).