5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide

C12H16N2O2S — CID 18135776

IUPAC5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H16N2O2S/c1-2-7-13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBHYGNYGPFUZGD-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.24
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide (PubChem CID 18135776) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide
PubChem CID18135776
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H16N2O2S/c1-2-7-13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyGBHYGNYGPFUZGD-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide (CID 18135776) is 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide?
The InChIKey is GBHYGNYGPFUZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-7-13-12(16)9-5-6-10(17-9)14-11(15)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 18135776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).