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

C15H10Cl2N2O2S — CID 2373929

IUPAC3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cn1
InChIInChI=1S/C15H10Cl2N2O2S/c1-21-12-5-3-9(7-18-12)19-15(20)14-13(17)10-4-2-8(16)6-11(10)22-14/h2-7H,1H3,(H,19,20)
InChIKeyIWUIDIJTMGZLAB-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.86
Rot. Bonds3

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

3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 2373929) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID2373929
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cn1
InChIInChI=1S/C15H10Cl2N2O2S/c1-21-12-5-3-9(7-18-12)19-15(20)14-13(17)10-4-2-8(16)6-11(10)22-14/h2-7H,1H3,(H,19,20)
InChIKeyIWUIDIJTMGZLAB-UHFFFAOYSA-N
XLogP4.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3129384
3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 9091464
N-[4-[[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 71657141
ethyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4237522
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
3,6-dichloro-N-[4-(difluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 9084516
3,6-dichloro-N-(4-ethenylsulfonyl-3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 34255946
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 91687360
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
3,6-dichloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2032151

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide (CID 2373929) is 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide is COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cn1.
What is the InChIKey of 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is IWUIDIJTMGZLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c1-21-12-5-3-9(7-18-12)19-15(20)14-13(17)10-4-2-8(16)6-11(10)22-14/h2-7H,1H3,(H,19,20).
What are the key properties of 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 353.23 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2373929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).