3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide

C19H11Cl2NOS — CID 3114628

IUPAC3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C19H11Cl2NOS/c20-12-8-9-14-16(10-12)24-18(17(14)21)19(23)22-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,22,23)
InChIKeyWHARFQYXNVUTTR-UHFFFAOYSA-N
MW372.28 g/mol
LogP6.61
Rot. Bonds2

About 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide

3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide (PubChem CID 3114628) has the molecular formula C19H11Cl2NOS and a molecular weight of 372.28 g/mol. Its IUPAC name is 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
PubChem CID3114628
Molecular FormulaC19H11Cl2NOS
Molecular Weight372.28 g/mol
Exact Mass370.99
IUPAC Name3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C19H11Cl2NOS/c20-12-8-9-14-16(10-12)24-18(17(14)21)19(23)22-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,22,23)
InChIKeyWHARFQYXNVUTTR-UHFFFAOYSA-N
XLogP6.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.28
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 91687360
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3,6-dichloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 50882585
3,6-dichloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 3682126
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-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
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

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide (CID 3114628) is 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide is O=C(Nc1cccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
The InChIKey is WHARFQYXNVUTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NOS/c20-12-8-9-14-16(10-12)24-18(17(14)21)19(23)22-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,22,23).
What are the key properties of 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide has a molecular weight of 372.28 g/mol, XLogP of 6.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3114628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).