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

C16H16N2O2S — CID 90511075

IUPACN-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H16N2O2S/c1-11-5-2-3-6-13(11)17-15(19)12-9-18(10-12)16(20)14-7-4-8-21-14/h2-8,12H,9-10H2,1H3,(H,17,19)
InChIKeyWZNYDDQWLUEFCF-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.77
Rot. Bonds3

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

N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511075) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511075
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H16N2O2S/c1-11-5-2-3-6-13(11)17-15(19)12-9-18(10-12)16(20)14-7-4-8-21-14/h2-8,12H,9-10H2,1H3,(H,17,19)
InChIKeyWZNYDDQWLUEFCF-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511166
N-(2-nitrophenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511092
N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511161
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
N-pyridin-3-yl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511163
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511075) is N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is Cc1ccccc1NC(=O)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is WZNYDDQWLUEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-5-2-3-6-13(11)17-15(19)12-9-18(10-12)16(20)14-7-4-8-21-14/h2-8,12H,9-10H2,1H3,(H,17,19).
What are the key properties of N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).