N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide

C16H15NO3S — CID 110889129

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC(O)c2ccco2)sc2ccccc12
InChIInChI=1S/C16H15NO3S/c1-10-11-5-2-3-7-14(11)21-15(10)16(19)17-9-12(18)13-6-4-8-20-13/h2-8,12,18H,9H2,1H3,(H,17,19)
InChIKeyKBCBEBLBAZQSNX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 110889129) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID110889129
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC(O)c2ccco2)sc2ccccc12
InChIInChI=1S/C16H15NO3S/c1-10-11-5-2-3-7-14(11)21-15(10)16(19)17-9-12(18)13-6-4-8-20-13/h2-8,12,18H,9H2,1H3,(H,17,19)
InChIKeyKBCBEBLBAZQSNX-UHFFFAOYSA-N
XLogP3.27
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
3-methyl-4-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 81064657
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 4884538
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110889150
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18160860
3-chloro-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 26834359
3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 47068455
N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-indazole-3-carboxamide
CID 110889118
[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] furan-2-carboxylate
CID 40755914
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 110889129) is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCC(O)c2ccco2)sc2ccccc12.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is KBCBEBLBAZQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-10-11-5-2-3-7-14(11)21-15(10)16(19)17-9-12(18)13-6-4-8-20-13/h2-8,12,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.27, 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]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110889129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).