5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C19H23N5O3S — CID 11292545

IUPAC5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(OC3CCCC(C)C3)c(C(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C19H23N5O3S/c1-10-5-4-6-12(7-10)27-16-13-9-14(26-3)11(2)8-15(13)28-17(16)18(25)20-19-21-23-24-22-19/h8-10,12H,4-7H2,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyUUEWBOZWEDNRRP-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.94
Rot. Bonds5

About 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11292545) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11292545
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(OC3CCCC(C)C3)c(C(=O)Nc3nn[nH]n3)sc2cc1C
InChIInChI=1S/C19H23N5O3S/c1-10-5-4-6-12(7-10)27-16-13-9-14(26-3)11(2)8-15(13)28-17(16)18(25)20-19-21-23-24-22-19/h8-10,12H,4-7H2,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyUUEWBOZWEDNRRP-UHFFFAOYSA-N
XLogP3.94
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-6-methyl-3-[(1S,3S)-3-methylcyclohexyl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 86311022
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067
5-methoxy-6-methyl-3-[(1R,3S)-3-methylcyclohexyl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboximidate
CID 86311019
3-[4-(3-hydroxycyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 69355543
3-[4-(3-butylcyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 90927132
5-methoxy-6-methyl-3-(4-piperidin-1-ylpyrimidin-5-yl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91164015
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide
CID 91382278
3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11201342
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
CID 91155921
3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11326843
5,6-dimethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91023062
5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91031456

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11292545) is 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2c(OC3CCCC(C)C3)c(C(=O)Nc3nn[nH]n3)sc2cc1C.
What is the InChIKey of 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is UUEWBOZWEDNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-10-5-4-6-12(7-10)27-16-13-9-14(26-3)11(2)8-15(13)28-17(16)18(25)20-19-21-23-24-22-19/h8-10,12H,4-7H2,1-3H3,(H2,20,21,22,23,24,25).
What are the key properties of 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11292545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).