3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide

C17H12ClN5OS2 — CID 55608971

IUPAC3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C17H12ClN5OS2/c1-25-17-20-21-22-23(17)11-6-4-5-10(9-11)19-16(24)15-14(18)12-7-2-3-8-13(12)26-15/h2-9H,1H3,(H,19,24)
InChIKeyFAUQBMAWXXTDQU-UHFFFAOYSA-N
MW401.90 g/mol
LogP4.50
Rot. Bonds4

About 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 55608971) has the molecular formula C17H12ClN5OS2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID55608971
Molecular FormulaC17H12ClN5OS2
Molecular Weight401.90 g/mol
Exact Mass401.02
IUPAC Name3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1
InChIInChI=1S/C17H12ClN5OS2/c1-25-17-20-21-22-23(17)11-6-4-5-10(9-11)19-16(24)15-14(18)12-7-2-3-8-13(12)26-15/h2-9H,1H3,(H,19,24)
InChIKeyFAUQBMAWXXTDQU-UHFFFAOYSA-N
XLogP4.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
6-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
CID 56510585
3-chloro-N-(1-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 925650
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39127304
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide (CID 55608971) is 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide is CSc1nnnn1-c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FAUQBMAWXXTDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS2/c1-25-17-20-21-22-23(17)11-6-4-5-10(9-11)19-16(24)15-14(18)12-7-2-3-8-13(12)26-15/h2-9H,1H3,(H,19,24).
What are the key properties of 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55608971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).