N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide

C21H20N2O2S — CID 117093174

IUPACN-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C21H20N2O2S/c24-21(17-4-1-3-16(15-17)20-5-2-14-26-20)22-18-6-8-19(9-7-18)23-10-12-25-13-11-23/h1-9,14-15H,10-13H2,(H,22,24)
InChIKeyIMPDARMUYMTBOQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.50
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide

N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide (PubChem CID 117093174) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
PubChem CID117093174
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C21H20N2O2S/c24-21(17-4-1-3-16(15-17)20-5-2-14-26-20)22-18-6-8-19(9-7-18)23-10-12-25-13-11-23/h1-9,14-15H,10-13H2,(H,22,24)
InChIKeyIMPDARMUYMTBOQ-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
N-(4-bromophenyl)-3-thiophen-2-ylbenzamide
CID 4862004
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
tert-butyl N-[3-methyl-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]phenyl]carbamate
CID 59822359
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
4-[3-[(3-bromophenyl)carbamoyl]phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374630
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
3-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524251
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide (CID 117093174) is N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2cccs2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide?
The InChIKey is IMPDARMUYMTBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(17-4-1-3-16(15-17)20-5-2-14-26-20)22-18-6-8-19(9-7-18)23-10-12-25-13-11-23/h1-9,14-15H,10-13H2,(H,22,24).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide?
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide has a molecular weight of 364.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide is sourced from PubChem (CID 117093174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).