5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide

C11H10BrNO3S — CID 110889015

IUPAC5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1csc(Br)c1
InChIInChI=1S/C11H10BrNO3S/c12-10-4-7(6-17-10)11(15)13-5-8(14)9-2-1-3-16-9/h1-4,6,8,14H,5H2,(H,13,15)
InChIKeyRTLXYGLOCCZKRB-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.57
Rot. Bonds4

About 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide

5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide (PubChem CID 110889015) has the molecular formula C11H10BrNO3S and a molecular weight of 316.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
PubChem CID110889015
Molecular FormulaC11H10BrNO3S
Molecular Weight316.18 g/mol
Exact Mass314.96
IUPAC Name5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1csc(Br)c1
InChIInChI=1S/C11H10BrNO3S/c12-10-4-7(6-17-10)11(15)13-5-8(14)9-2-1-3-16-9/h1-4,6,8,14H,5H2,(H,13,15)
InChIKeyRTLXYGLOCCZKRB-UHFFFAOYSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
4-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 75381546
5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 78897428
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
4-[ethyl(methyl)amino]-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110908170
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
CID 78868922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide (CID 110889015) is 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide is O=C(NCC(O)c1ccco1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
The InChIKey is RTLXYGLOCCZKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3S/c12-10-4-7(6-17-10)11(15)13-5-8(14)9-2-1-3-16-9/h1-4,6,8,14H,5H2,(H,13,15).
What are the key properties of 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide has a molecular weight of 316.18 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide is sourced from PubChem (CID 110889015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).