N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide

C18H17NO2S — CID 3156997

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccco1)c1cccs1
InChIInChI=1S/C18H17NO2S/c20-18(17-9-5-13-22-17)19-11-10-15(16-8-4-12-21-16)14-6-2-1-3-7-14/h1-9,12-13,15H,10-11H2,(H,19,20)
InChIKeyNHRHDXBPINCSKX-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.29
Rot. Bonds6

About N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide

N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide (PubChem CID 3156997) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
PubChem CID3156997
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccco1)c1cccs1
InChIInChI=1S/C18H17NO2S/c20-18(17-9-5-13-22-17)19-11-10-15(16-8-4-12-21-16)14-6-2-1-3-7-14/h1-9,12-13,15H,10-11H2,(H,19,20)
InChIKeyNHRHDXBPINCSKX-UHFFFAOYSA-N
XLogP4.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide (CID 3156997) is N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccco1)c1cccs1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The InChIKey is NHRHDXBPINCSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-18(17-9-5-13-22-17)19-11-10-15(16-8-4-12-21-16)14-6-2-1-3-7-14/h1-9,12-13,15H,10-11H2,(H,19,20).
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 3156997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).