N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide

C12H13NO3S — CID 111788924

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(O)c1ccco1
InChIInChI=1S/C12H13NO3S/c1-8-6-17-7-9(8)12(15)13-5-10(14)11-3-2-4-16-11/h2-4,6-7,10,14H,5H2,1H3,(H,13,15)
InChIKeyPAMCRAUJXTUOHH-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide (PubChem CID 111788924) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
PubChem CID111788924
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(O)c1ccco1
InChIInChI=1S/C12H13NO3S/c1-8-6-17-7-9(8)12(15)13-5-10(14)11-3-2-4-16-11/h2-4,6-7,10,14H,5H2,1H3,(H,13,15)
InChIKeyPAMCRAUJXTUOHH-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 110889129
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
4-methyl-N-[2-(methylamino)propyl]thiophene-3-carboxamide
CID 120831829
N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
CID 114313291
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
CID 97331187
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide (CID 111788924) is N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
The InChIKey is PAMCRAUJXTUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-8-6-17-7-9(8)12(15)13-5-10(14)11-3-2-4-16-11/h2-4,6-7,10,14H,5H2,1H3,(H,13,15).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 2.11, 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-hydroxyethyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 111788924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).