N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C16H15BrN2O2S — CID 90511161

IUPACN-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CN(C(=O)c3cccs3)C2)ccc1Br
InChIInChI=1S/C16H15BrN2O2S/c1-10-7-12(4-5-13(10)17)18-15(20)11-8-19(9-11)16(21)14-3-2-6-22-14/h2-7,11H,8-9H2,1H3,(H,18,20)
InChIKeyZTZVBGNMNFHWGM-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.53
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511161) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511161
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC NameN-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CN(C(=O)c3cccs3)C2)ccc1Br
InChIInChI=1S/C16H15BrN2O2S/c1-10-7-12(4-5-13(10)17)18-15(20)11-8-19(9-11)16(21)14-3-2-6-22-14/h2-7,11H,8-9H2,1H3,(H,18,20)
InChIKeyZTZVBGNMNFHWGM-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511075
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511249
N-pyridin-3-yl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511163
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511231
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511166
(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933370
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511161) is N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is Cc1cc(NC(=O)C2CN(C(=O)c3cccs3)C2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is ZTZVBGNMNFHWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-10-7-12(4-5-13(10)17)18-15(20)11-8-19(9-11)16(21)14-3-2-6-22-14/h2-7,11H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 379.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).