N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide

C21H20N2O2S — CID 17444618

IUPACN-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1sccc1-c1ccccc1
InChIInChI=1S/C21H20N2O2S/c24-21(20-19(10-15-26-20)16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-11-13-25-14-12-23/h1-10,15H,11-14H2,(H,22,24)
InChIKeyVEQLRNSPANXICY-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.50
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide

N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide (PubChem CID 17444618) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
PubChem CID17444618
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1sccc1-c1ccccc1
InChIInChI=1S/C21H20N2O2S/c24-21(20-19(10-15-26-20)16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-11-13-25-14-12-23/h1-10,15H,11-14H2,(H,22,24)
InChIKeyVEQLRNSPANXICY-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-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 26958545
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 134016368
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
3-amino-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 61110951
ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoate
CID 90833267

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide (CID 17444618) is N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1sccc1-c1ccccc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is VEQLRNSPANXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(20-19(10-15-26-20)16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-11-13-25-14-12-23/h1-10,15H,11-14H2,(H,22,24).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide 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-phenylthiophene-2-carboxamide is sourced from PubChem (CID 17444618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).