N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C15H21N3O3S — CID 90511031

IUPACN-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H21N3O3S/c19-14(16-3-4-17-5-7-21-8-6-17)12-10-18(11-12)15(20)13-2-1-9-22-13/h1-2,9,12H,3-8,10-11H2,(H,16,19)
InChIKeyMOVMQWCRABDENZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.27
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511031) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511031
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H21N3O3S/c19-14(16-3-4-17-5-7-21-8-6-17)12-10-18(11-12)15(20)13-2-1-9-22-13/h1-2,9,12H,3-8,10-11H2,(H,16,19)
InChIKeyMOVMQWCRABDENZ-UHFFFAOYSA-N
XLogP0.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511031) is N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is MOVMQWCRABDENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-14(16-3-4-17-5-7-21-8-6-17)12-10-18(11-12)15(20)13-2-1-9-22-13/h1-2,9,12H,3-8,10-11H2,(H,16,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).