5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide

C21H20N2O4S2 — CID 166217956

IUPAC5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C21H20N2O4S2/c24-21(22-17-8-4-5-9-18(17)23-12-14-27-15-13-23)19-10-11-20(28-19)29(25,26)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,24)
InChIKeyCGULIYOCMVHVJY-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.67
Rot. Bonds5

About 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide

5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 166217956) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID166217956
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC Name5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C21H20N2O4S2/c24-21(22-17-8-4-5-9-18(17)23-12-14-27-15-13-23)19-10-11-20(28-19)29(25,26)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,24)
InChIKeyCGULIYOCMVHVJY-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9459810
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390996
N-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 166217956) is 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is CGULIYOCMVHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c24-21(22-17-8-4-5-9-18(17)23-12-14-27-15-13-23)19-10-11-20(28-19)29(25,26)16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,24).
What are the key properties of 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 166217956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).