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

C18H19N5O3S — CID 125433341

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1
InChIInChI=1S/C18H19N5O3S/c1-25-12-5-7-13(8-6-12)26-10-9-19-17(24)16-14-3-2-4-15(14)27-18(16)23-11-20-21-22-23/h5-8,11H,2-4,9-10H2,1H3,(H,19,24)
InChIKeyOPLZQUXBTUZBKO-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.03
Rot. Bonds7

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

N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 125433341) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID125433341
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1
InChIInChI=1S/C18H19N5O3S/c1-25-12-5-7-13(8-6-12)26-10-9-19-17(24)16-14-3-2-4-15(14)27-18(16)23-11-20-21-22-23/h5-8,11H,2-4,9-10H2,1H3,(H,19,24)
InChIKeyOPLZQUXBTUZBKO-UHFFFAOYSA-N
XLogP2.03
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125431205
N-[2-(dimethylsulfamoyl)ethyl]-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 125431275
N-[2-(1H-imidazol-5-yl)ethyl]-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 125433048
N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 45493458
N-(1H-benzimidazol-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125433835
N-[2-(1H-indol-3-yl)ethyl]-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 125433542
N-(4-chlorophenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 45491075
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 45493298
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55598782
N-[[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125432137
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-bromophenyl)-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51045002

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 125433341) is N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is COc1ccc(OCCNC(=O)c2c(-n3cnnn3)sc3c2CCC3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is OPLZQUXBTUZBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-25-12-5-7-13(8-6-12)26-10-9-19-17(24)16-14-3-2-4-15(14)27-18(16)23-11-20-21-22-23/h5-8,11H,2-4,9-10H2,1H3,(H,19,24).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 125433341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).