2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide

C15H22N2O2S — CID 46947951

IUPAC2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide
SMILESCc1ccsc1CNC(=O)C1(C)CCN1C(=O)C(C)C
InChIInChI=1S/C15H22N2O2S/c1-10(2)13(18)17-7-6-15(17,4)14(19)16-9-12-11(3)5-8-20-12/h5,8,10H,6-7,9H2,1-4H3,(H,16,19)
InChIKeyHNEYHSVNRRKAKY-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide

2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide (PubChem CID 46947951) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide
PubChem CID46947951
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide
SMILESCc1ccsc1CNC(=O)C1(C)CCN1C(=O)C(C)C
InChIInChI=1S/C15H22N2O2S/c1-10(2)13(18)17-7-6-15(17,4)14(19)16-9-12-11(3)5-8-20-12/h5,8,10H,6-7,9H2,1-4H3,(H,16,19)
InChIKeyHNEYHSVNRRKAKY-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4104414
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
CID 4535556
2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 46943643
4-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-1,4-dicarboxamide
CID 94156776
2-acetamido-N-benzyl-2-thiophen-3-ylacetamide
CID 14522752
5-oxoprolyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3537066
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclopentanecarboxamide
CID 24234478
2-methyl-N-(2-methylpropyl)-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 46948165
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide?
The IUPAC name of 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide (CID 46947951) is 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide.
What is the SMILES notation for 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide?
The canonical SMILES for 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide is Cc1ccsc1CNC(=O)C1(C)CCN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide?
The InChIKey is HNEYHSVNRRKAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(2)13(18)17-7-6-15(17,4)14(19)16-9-12-11(3)5-8-20-12/h5,8,10H,6-7,9H2,1-4H3,(H,16,19).
What are the key properties of 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide?
2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropanoyl)-N-[(3-methylthiophen-2-yl)methyl]azetidine-2-carboxamide is sourced from PubChem (CID 46947951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).