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

C16H16FN5O2S2 — CID 11326843

IUPAC3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(SC3CCCC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F
InChIInChI=1S/C16H16FN5O2S2/c1-24-11-6-9-12(7-10(11)17)26-14(13(9)25-8-4-2-3-5-8)15(23)18-16-19-21-22-20-16/h6-8H,2-5H2,1H3,(H2,18,19,20,21,22,23)
InChIKeyOCCDEYFJHCRBOI-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.85
Rot. Bonds5

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

3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11326843) has the molecular formula C16H16FN5O2S2 and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11326843
Molecular FormulaC16H16FN5O2S2
Molecular Weight393.47 g/mol
Exact Mass393.07
IUPAC Name3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2c(SC3CCCC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F
InChIInChI=1S/C16H16FN5O2S2/c1-24-11-6-9-12(7-10(11)17)26-14(13(9)25-8-4-2-3-5-8)15(23)18-16-19-21-22-20-16/h6-8H,2-5H2,1H3,(H2,18,19,20,21,22,23)
InChIKeyOCCDEYFJHCRBOI-UHFFFAOYSA-N
XLogP3.85
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-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

3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11201342
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067
(3-cyclohexylsulfanyl-5-methoxy-1-benzothiophen-2-yl) N-(2H-tetrazol-5-yl)carbamate
CID 69362214
5,6-dimethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91023062
5-methoxy-6-methyl-3-[(1S,3S)-3-methylcyclohexyl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 86311022
5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11292545
5,6-dimethoxy-3-[(2R)-1-phenylpropan-2-yl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91223890
3-[4-(3-hydroxycyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 69355543
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide
CID 91382278
5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91031456
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
CID 91155921
3-[[3-(dimethylamino)phenyl]methoxy]-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91125520

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11326843) is 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2c(SC3CCCC3)c(C(=O)Nc3nn[nH]n3)sc2cc1F.
What is the InChIKey of 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is OCCDEYFJHCRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S2/c1-24-11-6-9-12(7-10(11)17)26-14(13(9)25-8-4-2-3-5-8)15(23)18-16-19-21-22-20-16/h6-8H,2-5H2,1H3,(H2,18,19,20,21,22,23).
What are the key properties of 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11326843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).