3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide

C17H13N5OS — CID 17445534

IUPAC3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-n3cnnn3)c2)sc2ccccc12
InChIInChI=1S/C17H13N5OS/c1-11-14-7-2-3-8-15(14)24-16(11)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23)
InChIKeyHHOVHYHFWOPDOK-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.44
Rot. Bonds3

About 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide

3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 17445534) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID17445534
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-n3cnnn3)c2)sc2ccccc12
InChIInChI=1S/C17H13N5OS/c1-11-14-7-2-3-8-15(14)24-16(11)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23)
InChIKeyHHOVHYHFWOPDOK-UHFFFAOYSA-N
XLogP3.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115
5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 146021404
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8852353
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971
1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 24627598
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide (CID 17445534) is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2cccc(-n3cnnn3)c2)sc2ccccc12.
What is the InChIKey of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HHOVHYHFWOPDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-11-14-7-2-3-8-15(14)24-16(11)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23).
What are the key properties of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide?
3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17445534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).