4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C19H15FN2O2S — CID 34746636

IUPAC4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C19H15FN2O2S/c1-2-10-21-18(23)12-6-3-4-8-15(12)22-19(24)17-11-13-14(20)7-5-9-16(13)25-17/h2-9,11H,1,10H2,(H,21,23)(H,22,24)
InChIKeyCIBSGNBTUVCUSW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.21
Rot. Bonds5

About 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 34746636) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID34746636
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C19H15FN2O2S/c1-2-10-21-18(23)12-6-3-4-8-15(12)22-19(24)17-11-13-14(20)7-5-9-16(13)25-17/h2-9,11H,1,10H2,(H,21,23)(H,22,24)
InChIKeyCIBSGNBTUVCUSW-UHFFFAOYSA-N
XLogP4.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3161672
N-(2-chlorophenyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 31495952
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 46797275
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 34746636) is 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CIBSGNBTUVCUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-2-10-21-18(23)12-6-3-4-8-15(12)22-19(24)17-11-13-14(20)7-5-9-16(13)25-17/h2-9,11H,1,10H2,(H,21,23)(H,22,24).
What are the key properties of 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 34746636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).