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

C17H17N5O2S — CID 45493458

IUPACN-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C17H17N5O2S/c1-2-24-13-8-4-3-7-12(13)19-16(23)15-11-6-5-9-14(11)25-17(15)22-10-18-20-21-22/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,19,23)
InChIKeyNPQHSFSTLFRZRK-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.86
Rot. Bonds5

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

N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 45493458) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID45493458
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1c(-n2cnnn2)sc2c1CCC2
InChIInChI=1S/C17H17N5O2S/c1-2-24-13-8-4-3-7-12(13)19-16(23)15-11-6-5-9-14(11)25-17(15)22-10-18-20-21-22/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,19,23)
InChIKeyNPQHSFSTLFRZRK-UHFFFAOYSA-N
XLogP2.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-bromophenyl)-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51045002
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-ethoxyphenyl)-2-[(2-ethoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3784388
N-(4-chlorophenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 45491075
N-[3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]-1-ethylpyrazole-3-carboxamide
CID 17373012
N-(2-ethoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2922810
2-[[4-(dimethylamino)phenyl]methylamino]-N-(2-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3148511
ethyl 2-[[2-(2-ethoxyanilino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 9102202
N-(1H-benzimidazol-2-ylmethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125433835
N-(2-ethoxyphenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
CID 4809707
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125432534
N-[2-(dimethylsulfamoyl)ethyl]-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 125431275

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 45493458) is N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCOc1ccccc1NC(=O)c1c(-n2cnnn2)sc2c1CCC2.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is NPQHSFSTLFRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-24-13-8-4-3-7-12(13)19-16(23)15-11-6-5-9-14(11)25-17(15)22-10-18-20-21-22/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,19,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 45493458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).