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

C12H13NO3S — CID 71782534

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccsc1)c1ccco1
InChIInChI=1S/C12H13NO3S/c1-12(15,10-3-2-5-16-10)8-13-11(14)9-4-6-17-7-9/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyZXXMNQDXUFKGNL-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.98
Rot. Bonds4

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

N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide (PubChem CID 71782534) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
PubChem CID71782534
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccsc1)c1ccco1
InChIInChI=1S/C12H13NO3S/c1-12(15,10-3-2-5-16-10)8-13-11(14)9-4-6-17-7-9/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyZXXMNQDXUFKGNL-UHFFFAOYSA-N
XLogP1.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide
CID 121085924
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide (CID 71782534) is N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide is CC(O)(CNC(=O)c1ccsc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide?
The InChIKey is ZXXMNQDXUFKGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-12(15,10-3-2-5-16-10)8-13-11(14)9-4-6-17-7-9/h2-7,15H,8H2,1H3,(H,13,14).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide is sourced from PubChem (CID 71782534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).