5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide

C17H18N2O2S — CID 16618767

IUPAC5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-11(12-5-3-2-4-6-12)18-17(21)14-9-10-15(22-14)19-16(20)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyUMLXBUTXPFUNRK-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.59
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide (PubChem CID 16618767) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
PubChem CID16618767
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c1-11(12-5-3-2-4-6-12)18-17(21)14-9-10-15(22-14)19-16(20)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyUMLXBUTXPFUNRK-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide (CID 16618767) is 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide is CC(NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccccc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is UMLXBUTXPFUNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11(12-5-3-2-4-6-12)18-17(21)14-9-10-15(22-14)19-16(20)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 16618767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).