N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide

C20H18N2O3S — CID 2971227

IUPACN-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1csc2ccccc12
InChIInChI=1S/C20H18N2O3S/c23-19(17-13-26-18-4-2-1-3-16(17)18)21-15-7-5-14(6-8-15)20(24)22-9-11-25-12-10-22/h1-8,13H,9-12H2,(H,21,23)
InChIKeyWLPWSEVXBJJXTF-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.63
Rot. Bonds3

About N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide

N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide (PubChem CID 2971227) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
PubChem CID2971227
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1csc2ccccc12
InChIInChI=1S/C20H18N2O3S/c23-19(17-13-26-18-4-2-1-3-16(17)18)21-15-7-5-14(6-8-15)20(24)22-9-11-25-12-10-22/h1-8,13H,9-12H2,(H,21,23)
InChIKeyWLPWSEVXBJJXTF-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17194977
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773
N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
CID 175025885
1-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671529
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
1-(1-benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-1-carboxamide
CID 2986145
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
3-chloro-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 54858474
2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78892236

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide (CID 2971227) is N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1csc2ccccc12.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide?
The InChIKey is WLPWSEVXBJJXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19(17-13-26-18-4-2-1-3-16(17)18)21-15-7-5-14(6-8-15)20(24)22-9-11-25-12-10-22/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide?
N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2971227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).