5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide

C24H19ClN2O4S — CID 55427306

IUPAC5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C24H19ClN2O4S/c25-16-7-5-15(6-8-16)19-9-10-20(32-19)23(28)26-21-17-3-1-2-4-18(17)31-22(21)24(29)27-11-13-30-14-12-27/h1-10H,11-14H2,(H,26,28)
InChIKeyPHGKNMCUIFQQAG-UHFFFAOYSA-N
MW466.95 g/mol
LogP5.54
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide

5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 55427306) has the molecular formula C24H19ClN2O4S and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID55427306
Molecular FormulaC24H19ClN2O4S
Molecular Weight466.95 g/mol
Exact Mass466.08
IUPAC Name5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C24H19ClN2O4S/c25-16-7-5-15(6-8-16)19-9-10-20(32-19)23(28)26-21-17-3-1-2-4-18(17)31-22(21)24(29)27-11-13-30-14-12-27/h1-10H,11-14H2,(H,26,28)
InChIKeyPHGKNMCUIFQQAG-UHFFFAOYSA-N
XLogP5.54
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.95
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide
CID 112797878
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448027
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
CID 167828106
4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 16579759
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 55427306) is 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide is O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is PHGKNMCUIFQQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4S/c25-16-7-5-15(6-8-16)19-9-10-20(32-19)23(28)26-21-17-3-1-2-4-18(17)31-22(21)24(29)27-11-13-30-14-12-27/h1-10H,11-14H2,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55427306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).