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

C18H17NO2S — CID 940351

IUPACN-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H](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)/t15-/m1/s1
InChIKeyNHRHDXBPINCSKX-OAHLLOKOSA-N
MW311.41 g/mol
LogP4.29
Rot. Bonds6

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

N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide (PubChem CID 940351) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
PubChem CID940351
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H](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)/t15-/m1/s1
InChIKeyNHRHDXBPINCSKX-OAHLLOKOSA-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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Related Compounds

N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
CID 2047970
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 16809791
N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96572832
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97120628
5-(difluoromethyl)-N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449599
5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449598
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide (CID 940351) is N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide is O=C(NCC[C@H](c1ccccc1)c1ccco1)c1cccs1.
What is the InChIKey of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
The InChIKey is NHRHDXBPINCSKX-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide?
N-[(3R)-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-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 940351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).