N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C25H23N3O4S2 — CID 66609891

IUPACN-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCOCC3)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C25H23N3O4S2/c29-25(23-14-19-8-9-26-17-24(19)33-23)27-16-18-4-6-21(7-5-18)34(30,31)22-3-1-2-20(15-22)28-10-12-32-13-11-28/h1-9,14-15,17H,10-13,16H2,(H,27,29)
InChIKeyXUZVABSJNOVNII-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.90
Rot. Bonds6

About N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 66609891) has the molecular formula C25H23N3O4S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID66609891
Molecular FormulaC25H23N3O4S2
Molecular Weight493.61 g/mol
Exact Mass493.11
IUPAC NameN-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCOCC3)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C25H23N3O4S2/c29-25(23-14-19-8-9-26-17-24(19)33-23)27-16-18-4-6-21(7-5-18)34(30,31)22-3-1-2-20(15-22)28-10-12-32-13-11-28/h1-9,14-15,17H,10-13,16H2,(H,27,29)
InChIKeyXUZVABSJNOVNII-UHFFFAOYSA-N
XLogP3.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 66609891) is N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCOCC3)c2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is XUZVABSJNOVNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S2/c29-25(23-14-19-8-9-26-17-24(19)33-23)27-16-18-4-6-21(7-5-18)34(30,31)22-3-1-2-20(15-22)28-10-12-32-13-11-28/h1-9,14-15,17H,10-13,16H2,(H,27,29).
What are the key properties of N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66609891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).