1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide

C19H22N2O5S — CID 90511251

IUPAC1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2CN(C(=O)c3cccs3)C2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5S/c1-24-14-7-12(8-15(25-2)17(14)26-3)9-20-18(22)13-10-21(11-13)19(23)16-5-4-6-27-16/h4-8,13H,9-11H2,1-3H3,(H,20,22)
InChIKeyJSKKPTFEBVTULA-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.16
Rot. Bonds7

About 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide

1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide (PubChem CID 90511251) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
PubChem CID90511251
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2CN(C(=O)c3cccs3)C2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5S/c1-24-14-7-12(8-15(25-2)17(14)26-3)9-20-18(22)13-10-21(11-13)19(23)16-5-4-6-27-16/h4-8,13H,9-11H2,1-3H3,(H,20,22)
InChIKeyJSKKPTFEBVTULA-UHFFFAOYSA-N
XLogP2.16
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52907474
(3R,4R)-N-benzyl-4-(2,3-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93152235
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511213
1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90510918
1-(thiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 90511244
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
1-(1,3-benzothiazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604133

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide (CID 90511251) is 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide is COc1cc(CNC(=O)C2CN(C(=O)c3cccs3)C2)cc(OC)c1OC.
What is the InChIKey of 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is JSKKPTFEBVTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-24-14-7-12(8-15(25-2)17(14)26-3)9-20-18(22)13-10-21(11-13)19(23)16-5-4-6-27-16/h4-8,13H,9-11H2,1-3H3,(H,20,22).
What are the key properties of 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide?
1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 90511251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).