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

C17H18FN5O3S — CID 11165244

IUPAC3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(OC3CCCCC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F
InChIInChI=1S/C17H18FN5O3S/c1-25-12-7-10-13(8-11(12)18)27-15(16(24)19-17-20-22-23-21-17)14(10)26-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,19,20,21,22,23,24)
InChIKeyLTYSJKIUTRONQO-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.53
Rot. Bonds5

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

3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11165244) has the molecular formula C17H18FN5O3S and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11165244
Molecular FormulaC17H18FN5O3S
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC Name3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(OC3CCCCC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F
InChIInChI=1S/C17H18FN5O3S/c1-25-12-7-10-13(8-11(12)18)27-15(16(24)19-17-20-22-23-21-17)14(10)26-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,19,20,21,22,23,24)
InChIKeyLTYSJKIUTRONQO-UHFFFAOYSA-N
XLogP3.53
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11165244) is 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2c(OC3CCCCC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F.
What is the InChIKey of 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is LTYSJKIUTRONQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3S/c1-25-12-7-10-13(8-11(12)18)27-15(16(24)19-17-20-22-23-21-17)14(10)26-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,19,20,21,22,23,24).
What are the key properties of 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11165244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).