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

C16H16N2O2S — CID 90511042

IUPACN-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H16N2O2S/c19-15(17-9-12-5-2-1-3-6-12)13-10-18(11-13)16(20)14-7-4-8-21-14/h1-8,13H,9-11H2,(H,17,19)
InChIKeyGOARTZMCWLNBGJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.14
Rot. Bonds4

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

N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511042) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511042
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H16N2O2S/c19-15(17-9-12-5-2-1-3-6-12)13-10-18(11-13)16(20)14-7-4-8-21-14/h1-8,13H,9-11H2,(H,17,19)
InChIKeyGOARTZMCWLNBGJ-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056
N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511213
1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90511251
1-(thiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 90511244
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 24674548
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
(3R,4R)-N-benzyl-4-(2,3-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93152235
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511042) is N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is O=C(NCc1ccccc1)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is GOARTZMCWLNBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(17-9-12-5-2-1-3-6-12)13-10-18(11-13)16(20)14-7-4-8-21-14/h1-8,13H,9-11H2,(H,17,19).
What are the key properties of N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).