4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide

C15H12BrNO3S2 — CID 121018403

IUPAC4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)(c1ccsc1)c1ccco1)c1cc(Br)cs1
InChIInChI=1S/C15H12BrNO3S2/c16-11-6-12(22-8-11)14(18)17-9-15(19,10-3-5-21-7-10)13-2-1-4-20-13/h1-8,19H,9H2,(H,17,18)
InChIKeyKAHOKYBVOVQGGI-UHFFFAOYSA-N
MW398.30 g/mol
LogP3.83
Rot. Bonds5

About 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide

4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide (PubChem CID 121018403) has the molecular formula C15H12BrNO3S2 and a molecular weight of 398.30 g/mol. Its IUPAC name is 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
PubChem CID121018403
Molecular FormulaC15H12BrNO3S2
Molecular Weight398.30 g/mol
Exact Mass396.94
IUPAC Name4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)(c1ccsc1)c1ccco1)c1cc(Br)cs1
InChIInChI=1S/C15H12BrNO3S2/c16-11-6-12(22-8-11)14(18)17-9-15(19,10-3-5-21-7-10)13-2-1-4-20-13/h1-8,19H,9H2,(H,17,18)
InChIKeyKAHOKYBVOVQGGI-UHFFFAOYSA-N
XLogP3.83
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108
N'-(2,5-difluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124760719
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
CID 129354528
1-(1,3-benzodioxol-5-yl)-3-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 119101158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide (CID 121018403) is 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide is O=C(NCC(O)(c1ccsc1)c1ccco1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The InChIKey is KAHOKYBVOVQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3S2/c16-11-6-12(22-8-11)14(18)17-9-15(19,10-3-5-21-7-10)13-2-1-4-20-13/h1-8,19H,9H2,(H,17,18).
What are the key properties of 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide has a molecular weight of 398.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 121018403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).