3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C19H23N5O3S2 — CID 11201342

IUPAC3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOCc1cc2sc(C(=O)Nc3nn[nH]n3)c(SC3CCCCC3)c2cc1OC
InChIInChI=1S/C19H23N5O3S2/c1-26-10-11-8-15-13(9-14(11)27-2)16(28-12-6-4-3-5-7-12)17(29-15)18(25)20-19-21-23-24-22-19/h8-9,12H,3-7,10H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyVDKIQHOSPOZYQF-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.25
Rot. Bonds7

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

3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11201342) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11201342
Molecular FormulaC19H23N5O3S2
Molecular Weight433.56 g/mol
Exact Mass433.12
IUPAC Name3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOCc1cc2sc(C(=O)Nc3nn[nH]n3)c(SC3CCCCC3)c2cc1OC
InChIInChI=1S/C19H23N5O3S2/c1-26-10-11-8-15-13(9-14(11)27-2)16(28-12-6-4-3-5-7-12)17(29-15)18(25)20-19-21-23-24-22-19/h8-9,12H,3-7,10H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyVDKIQHOSPOZYQF-UHFFFAOYSA-N
XLogP4.25
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclopentylsulfanyl-6-fluoro-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11326843
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-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-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91023062
5-methoxy-6-methyl-3-(4-piperidin-1-ylpyrimidin-5-yl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91164015
5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91031456
3-[4-(3-hydroxycyclohexyl)phenoxy]-5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 69355543
5,6-dimethoxy-3-[(2R)-1-phenylpropan-2-yl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91223890
3-[[3-(dimethylamino)phenyl]methoxy]-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91125520
3-cyclooctyloxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 11246122

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11201342) is 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COCc1cc2sc(C(=O)Nc3nn[nH]n3)c(SC3CCCCC3)c2cc1OC.
What is the InChIKey of 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is VDKIQHOSPOZYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-26-10-11-8-15-13(9-14(11)27-2)16(28-12-6-4-3-5-7-12)17(29-15)18(25)20-19-21-23-24-22-19/h8-9,12H,3-7,10H2,1-2H3,(H2,20,21,22,23,24,25).
What are the key properties of 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-5-methoxy-6-(methoxymethyl)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11201342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).