6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide

C20H21N3O3S2 — CID 2738898

IUPAC6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccs2)cc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H21N3O3S2/c24-28(25,18-7-8-20(21-15-18)23-9-11-26-12-10-23)22-14-16-3-5-17(6-4-16)19-2-1-13-27-19/h1-8,13,15,22H,9-12,14H2
InChIKeyXEKLVPYZJQOXOP-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.13
Rot. Bonds6

About 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide

6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 2738898) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID2738898
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccs2)cc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H21N3O3S2/c24-28(25,18-7-8-20(21-15-18)23-9-11-26-12-10-23)22-14-16-3-5-17(6-4-16)19-2-1-13-27-19/h1-8,13,15,22H,9-12,14H2
InChIKeyXEKLVPYZJQOXOP-UHFFFAOYSA-N
XLogP3.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide (CID 2738898) is 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(-c2cccs2)cc1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is XEKLVPYZJQOXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c24-28(25,18-7-8-20(21-15-18)23-9-11-26-12-10-23)22-14-16-3-5-17(6-4-16)19-2-1-13-27-19/h1-8,13,15,22H,9-12,14H2.
What are the key properties of 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide?
6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 415.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[(4-thiophen-2-ylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 2738898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).