3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C17H12Cl2N2O2S — CID 9091464

IUPAC3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c1-20-16(22)9-2-5-11(6-3-9)21-17(23)15-14(19)12-7-4-10(18)8-13(12)24-15/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyCPDNDBXYQDKBHB-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.82
Rot. Bonds3

About 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 9091464) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID9091464
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2S/c1-20-16(22)9-2-5-11(6-3-9)21-17(23)15-14(19)12-7-4-10(18)8-13(12)24-15/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeyCPDNDBXYQDKBHB-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3129384
ethyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4237522
N-[4-[[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 71657141
3,6-dichloro-N-[4-(difluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 9084516
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
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-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 2373929
3-chloro-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 28642881
3,6-dichloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2032151
3,6-dichloro-N-[(4-propan-2-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 3939700
3,6-dichloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 2004246

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 9091464) is 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is CNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CPDNDBXYQDKBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-20-16(22)9-2-5-11(6-3-9)21-17(23)15-14(19)12-7-4-10(18)8-13(12)24-15/h2-8H,1H3,(H,20,22)(H,21,23).
What are the key properties of 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 379.27 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9091464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).