N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C13H18N2O3S — CID 52992951

IUPACN-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C13H18N2O3S/c1-9(8-18-2)14-12(16)10-6-15(7-10)13(17)11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3,(H,14,16)
InChIKeyRAPYCTRBSBNQDU-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.97
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 52992951) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID52992951
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C13H18N2O3S/c1-9(8-18-2)14-12(16)10-6-15(7-10)13(17)11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3,(H,14,16)
InChIKeyRAPYCTRBSBNQDU-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 52992951) is N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is COCC(C)NC(=O)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is RAPYCTRBSBNQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(8-18-2)14-12(16)10-6-15(7-10)13(17)11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 52992951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).