N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide

C13H8ClNO2S — CID 106685930

IUPACN-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccoc1Cl
InChIInChI=1S/C13H8ClNO2S/c14-12-10(3-5-17-12)13(16)15-9-1-2-11-8(7-9)4-6-18-11/h1-7H,(H,15,16)
InChIKeyUYWALARICJMQPC-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.40
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide

N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide (PubChem CID 106685930) has the molecular formula C13H8ClNO2S and a molecular weight of 277.73 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
PubChem CID106685930
Molecular FormulaC13H8ClNO2S
Molecular Weight277.73 g/mol
Exact Mass277.00
IUPAC NameN-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
SMILESO=C(Nc1ccc2sccc2c1)c1ccoc1Cl
InChIInChI=1S/C13H8ClNO2S/c14-12-10(3-5-17-12)13(16)15-9-1-2-11-8(7-9)4-6-18-11/h1-7H,(H,15,16)
InChIKeyUYWALARICJMQPC-UHFFFAOYSA-N
XLogP4.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
N-(1-benzothiophen-5-yl)-2,5-dibromobenzamide
CID 114371119
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685528
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
CID 82829825
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
CID 107951910
2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide
CID 106686038
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
CID 106812415
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide (CID 106685930) is N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide is O=C(Nc1ccc2sccc2c1)c1ccoc1Cl.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide?
The InChIKey is UYWALARICJMQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2S/c14-12-10(3-5-17-12)13(16)15-9-1-2-11-8(7-9)4-6-18-11/h1-7H,(H,15,16).
What are the key properties of N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide?
N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide has a molecular weight of 277.73 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106685930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).