N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide

C15H10Cl2N2OS — CID 91687360

IUPACN-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H10Cl2N2OS/c16-8-5-6-9-12(7-8)21-14(13(9)17)15(20)19-11-4-2-1-3-10(11)18/h1-7H,18H2,(H,19,20)
InChIKeyYYDVNSHHWNXMNS-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.04
Rot. Bonds2

About N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide

N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide (PubChem CID 91687360) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
PubChem CID91687360
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC NameN-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H10Cl2N2OS/c16-8-5-6-9-12(7-8)21-14(13(9)17)15(20)19-11-4-2-1-3-10(11)18/h1-7H,18H2,(H,19,20)
InChIKeyYYDVNSHHWNXMNS-UHFFFAOYSA-N
XLogP5.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-3,6-dichloro-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

3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
CID 3114628
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3,6-dichloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 3682126
3,6-dichloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 50882585
3,6-dichloro-N-(2-fluoro-4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 2214579
3,6-dichloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 30337065
3,6-dichloro-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 17099094
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3129384
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 3888323
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide (CID 91687360) is N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide is Nc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
The InChIKey is YYDVNSHHWNXMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-8-5-6-9-12(7-8)21-14(13(9)17)15(20)19-11-4-2-1-3-10(11)18/h1-7H,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91687360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).