6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C16H16FN5O3S — CID 11176359

IUPAC6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(OCC3(C)CC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F
InChIInChI=1S/C16H16FN5O3S/c1-16(3-4-16)7-25-12-8-5-10(24-2)9(17)6-11(8)26-13(12)14(23)18-15-19-21-22-20-15/h5-6H,3-4,7H2,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyCBVDTQKWWUAWIX-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.99
Rot. Bonds6

About 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11176359) has the molecular formula C16H16FN5O3S and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11176359
Molecular FormulaC16H16FN5O3S
Molecular Weight377.40 g/mol
Exact Mass377.10
IUPAC Name6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(OCC3(C)CC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F
InChIInChI=1S/C16H16FN5O3S/c1-16(3-4-16)7-25-12-8-5-10(24-2)9(17)6-11(8)26-13(12)14(23)18-15-19-21-22-20-15/h5-6H,3-4,7H2,1-2H3,(H2,18,19,20,21,22,23)
InChIKeyCBVDTQKWWUAWIX-UHFFFAOYSA-N
XLogP2.99
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11176359) is 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2c(OCC3(C)CC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F.
What is the InChIKey of 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is CBVDTQKWWUAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S/c1-16(3-4-16)7-25-12-8-5-10(24-2)9(17)6-11(8)26-13(12)14(23)18-15-19-21-22-20-15/h5-6H,3-4,7H2,1-2H3,(H2,18,19,20,21,22,23).
What are the key properties of 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-3-[(1-methylcyclopropyl)methoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11176359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).