3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide

C12H9Cl2NOS — CID 115636900

IUPAC3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H9Cl2NOS/c1-7(13)6-15-12(16)11-10(14)8-4-2-3-5-9(8)17-11/h2-5H,1,6H2,(H,15,16)
InChIKeyDEUOTFQDLWTBHX-UHFFFAOYSA-N
MW286.18 g/mol
LogP4.04
Rot. Bonds3

About 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide (PubChem CID 115636900) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
PubChem CID115636900
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C12H9Cl2NOS/c1-7(13)6-15-12(16)11-10(14)8-4-2-3-5-9(8)17-11/h2-5H,1,6H2,(H,15,16)
InChIKeyDEUOTFQDLWTBHX-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-(2-chloroprop-2-enyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115636901
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2166794
cis-(1R,3S)-3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678938
(3,3-dimethyl-2-oxobutyl) 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 7170526
3-chloro-N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9303925
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
(2S)-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107833904
1-benzothiophen-3-ylmethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 55884820

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide (CID 115636900) is 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide is C=C(Cl)CNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide?
The InChIKey is DEUOTFQDLWTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c1-7(13)6-15-12(16)11-10(14)8-4-2-3-5-9(8)17-11/h2-5H,1,6H2,(H,15,16).
What are the key properties of 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide has a molecular weight of 286.18 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115636900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).