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

C19H21N3O3S — CID 90511231

IUPACN-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H21N3O3S/c23-18(14-12-22(13-14)19(24)17-2-1-11-26-17)20-15-3-5-16(6-4-15)21-7-9-25-10-8-21/h1-6,11,14H,7-10,12-13H2,(H,20,23)
InChIKeyLYNGETALCAQBGH-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.30
Rot. Bonds4

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

N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511231) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511231
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H21N3O3S/c23-18(14-12-22(13-14)19(24)17-2-1-11-26-17)20-15-3-5-16(6-4-15)21-7-9-25-10-8-21/h1-6,11,14H,7-10,12-13H2,(H,20,23)
InChIKeyLYNGETALCAQBGH-UHFFFAOYSA-N
XLogP2.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511031
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 58866702
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557962
N-pyridin-3-yl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511163
N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511161
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
(3S)-N-(4-morpholin-4-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41083967
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 90513233
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
2-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168609131

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511231) is N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is LYNGETALCAQBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18(14-12-22(13-14)19(24)17-2-1-11-26-17)20-15-3-5-16(6-4-15)21-7-9-25-10-8-21/h1-6,11,14H,7-10,12-13H2,(H,20,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).