N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C17H15N5O3S — CID 125433881

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C17H15N5O3S/c23-16(19-10-4-5-12-13(8-10)25-7-6-24-12)15-11-2-1-3-14(11)26-17(15)22-9-18-20-21-22/h4-5,8-9H,1-3,6-7H2,(H,19,23)
InChIKeyVWDJHOFLKHEECW-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.24
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 125433881) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID125433881
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C17H15N5O3S/c23-16(19-10-4-5-12-13(8-10)25-7-6-24-12)15-11-2-1-3-14(11)26-17(15)22-9-18-20-21-22/h4-5,8-9H,1-3,6-7H2,(H,19,23)
InChIKeyVWDJHOFLKHEECW-UHFFFAOYSA-N
XLogP2.24
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-(2-bromophenyl)-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51045002
N-(2-morpholin-4-ylethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125431205
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245498
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 4804176
N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125433341
ethyl 2-[2-[[2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 45493676
N-[2-(1H-imidazol-5-yl)ethyl]-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 125433048
methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2971151
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799559
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229017

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 125433881) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1c(-n2cnnn2)sc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is VWDJHOFLKHEECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c23-16(19-10-4-5-12-13(8-10)25-7-6-24-12)15-11-2-1-3-14(11)26-17(15)22-9-18-20-21-22/h4-5,8-9H,1-3,6-7H2,(H,19,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 125433881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).