N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide

C12H13NO3S — CID 110889308

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(O)c2ccco2)s1
InChIInChI=1S/C12H13NO3S/c1-8-4-5-11(17-8)12(15)13-7-9(14)10-3-2-6-16-10/h2-6,9,14H,7H2,1H3,(H,13,15)
InChIKeyMRGMTXNYMMQLAC-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide (PubChem CID 110889308) 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]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
PubChem CID110889308
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(O)c2ccco2)s1
InChIInChI=1S/C12H13NO3S/c1-8-4-5-11(17-8)12(15)13-7-9(14)10-3-2-6-16-10/h2-6,9,14H,7H2,1H3,(H,13,15)
InChIKeyMRGMTXNYMMQLAC-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

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 110889129
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71787678
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 38524814
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18162543

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide (CID 110889308) is N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(O)c2ccco2)s1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is MRGMTXNYMMQLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-8-4-5-11(17-8)12(15)13-7-9(14)10-3-2-6-16-10/h2-6,9,14H,7H2,1H3,(H,13,15).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 110889308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).