3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C18H21N5O4S — CID 11235067

IUPAC3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OC3CCCCC3)c2cc1OC
InChIInChI=1S/C18H21N5O4S/c1-25-12-8-11-14(9-13(12)26-2)28-16(17(24)19-18-20-22-23-21-18)15(11)27-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyIZUSTFLFELXCDQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.40
Rot. Bonds6

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

3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11235067) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11235067
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OC3CCCCC3)c2cc1OC
InChIInChI=1S/C18H21N5O4S/c1-25-12-8-11-14(9-13(12)26-2)28-16(17(24)19-18-20-22-23-21-18)15(11)27-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyIZUSTFLFELXCDQ-UHFFFAOYSA-N
XLogP3.40
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11235067) is 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2sc(C(=O)Nc3nn[nH]n3)c(OC3CCCCC3)c2cc1OC.
What is the InChIKey of 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is IZUSTFLFELXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-25-12-8-11-14(9-13(12)26-2)28-16(17(24)19-18-20-22-23-21-18)15(11)27-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11235067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).