3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C19H15ClN2O2S — CID 3161672

IUPAC3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H15ClN2O2S/c1-2-11-21-18(23)12-7-3-5-9-14(12)22-19(24)17-16(20)13-8-4-6-10-15(13)25-17/h2-10H,1,11H2,(H,21,23)(H,22,24)
InChIKeyRGLVBMQSSPQWKD-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.72
Rot. Bonds5

About 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 3161672) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID3161672
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H15ClN2O2S/c1-2-11-21-18(23)12-7-3-5-9-14(12)22-19(24)17-16(20)13-8-4-6-10-15(13)25-17/h2-10H,1,11H2,(H,21,23)(H,22,24)
InChIKeyRGLVBMQSSPQWKD-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.72
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

3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 34746636
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
3-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3160838
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17150441
N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 17149452
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 3161672) is 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is RGLVBMQSSPQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-2-11-21-18(23)12-7-3-5-9-14(12)22-19(24)17-16(20)13-8-4-6-10-15(13)25-17/h2-10H,1,11H2,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3161672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).