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

C18H20N2O2S — CID 90511068

IUPACN-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C(=O)c2cccs2)C1)c1cccc(C)c1
InChIInChI=1S/C18H20N2O2S/c1-3-20(15-7-4-6-13(2)10-15)17(21)14-11-19(12-14)18(22)16-8-5-9-23-16/h4-10,14H,3,11-12H2,1-2H3
InChIKeyPVRLIPBBUHIHPY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.18
Rot. Bonds4

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

N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511068) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511068
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C(=O)c2cccs2)C1)c1cccc(C)c1
InChIInChI=1S/C18H20N2O2S/c1-3-20(15-7-4-6-13(2)10-15)17(21)14-11-19(12-14)18(22)16-8-5-9-23-16/h4-10,14H,3,11-12H2,1-2H3
InChIKeyPVRLIPBBUHIHPY-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide
CID 90511743
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27754119
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
N-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
N-ethyl-7-methyl-N-(3-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572444
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511068) is N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is CCN(C(=O)C1CN(C(=O)c2cccs2)C1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is PVRLIPBBUHIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-20(15-7-4-6-13(2)10-15)17(21)14-11-19(12-14)18(22)16-8-5-9-23-16/h4-10,14H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).