5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide

C17H17FN2O2S — CID 17461470

IUPAC5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H17FN2O2S/c18-13-4-2-1-3-11(13)9-10-19-17(22)14-7-8-15(23-14)20-16(21)12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,19,22)(H,20,21)
InChIKeyDCCCSLMJTWQWTC-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.21
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 17461470) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID17461470
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H17FN2O2S/c18-13-4-2-1-3-11(13)9-10-19-17(22)14-7-8-15(23-14)20-16(21)12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,19,22)(H,20,21)
InChIKeyDCCCSLMJTWQWTC-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide (CID 17461470) is 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1ccccc1F)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is DCCCSLMJTWQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-13-4-2-1-3-11(13)9-10-19-17(22)14-7-8-15(23-14)20-16(21)12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,19,22)(H,20,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[2-(2-fluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17461470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).