N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide

C12H10FNO2S2 — CID 107032493

IUPACN-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCOc1ccc(F)c(NC(=O)c2cc(S)cs2)c1
InChIInChI=1S/C12H10FNO2S2/c1-16-7-2-3-9(13)10(4-7)14-12(15)11-5-8(17)6-18-11/h2-6,17H,1H3,(H,14,15)
InChIKeyVICNTHWOOQQONA-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.44
Rot. Bonds3

About N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide

N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107032493) has the molecular formula C12H10FNO2S2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107032493
Molecular FormulaC12H10FNO2S2
Molecular Weight283.35 g/mol
Exact Mass283.01
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCOc1ccc(F)c(NC(=O)c2cc(S)cs2)c1
InChIInChI=1S/C12H10FNO2S2/c1-16-7-2-3-9(13)10(4-7)14-12(15)11-5-8(17)6-18-11/h2-6,17H,1H3,(H,14,15)
InChIKeyVICNTHWOOQQONA-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107026835
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860596
N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107033219
N-(4-chloro-2-methoxy-5-methylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020009
N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168
N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80623783
N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
CID 107022248
N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103747463
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide (CID 107032493) is N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide is COc1ccc(F)c(NC(=O)c2cc(S)cs2)c1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is VICNTHWOOQQONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S2/c1-16-7-2-3-9(13)10(4-7)14-12(15)11-5-8(17)6-18-11/h2-6,17H,1H3,(H,14,15).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide?
N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107032493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).