6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide

C21H32N4O4S — CID 55987367

IUPAC6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCC(c2ccc(C)o2)N2CCOCC2)nc1
InChIInChI=1S/C21H32N4O4S/c1-4-5-16(2)24-30(26,27)18-7-9-21(22-14-18)23-15-19(20-8-6-17(3)29-20)25-10-12-28-13-11-25/h6-9,14,16,19,24H,4-5,10-13,15H2,1-3H3,(H,22,23)
InChIKeyGRKFVAYTSYCACZ-UHFFFAOYSA-N
MW436.58 g/mol
LogP2.94
Rot. Bonds10

About 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide

6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide (PubChem CID 55987367) has the molecular formula C21H32N4O4S and a molecular weight of 436.58 g/mol. Its IUPAC name is 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
PubChem CID55987367
Molecular FormulaC21H32N4O4S
Molecular Weight436.58 g/mol
Exact Mass436.21
IUPAC Name6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCC(c2ccc(C)o2)N2CCOCC2)nc1
InChIInChI=1S/C21H32N4O4S/c1-4-5-16(2)24-30(26,27)18-7-9-21(22-14-18)23-15-19(20-8-6-17(3)29-20)25-10-12-28-13-11-25/h6-9,14,16,19,24H,4-5,10-13,15H2,1-3H3,(H,22,23)
InChIKeyGRKFVAYTSYCACZ-UHFFFAOYSA-N
XLogP2.94
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide (CID 55987367) is 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide is CCCC(C)NS(=O)(=O)c1ccc(NCC(c2ccc(C)o2)N2CCOCC2)nc1.
What is the InChIKey of 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
The InChIKey is GRKFVAYTSYCACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4S/c1-4-5-16(2)24-30(26,27)18-7-9-21(22-14-18)23-15-19(20-8-6-17(3)29-20)25-10-12-28-13-11-25/h6-9,14,16,19,24H,4-5,10-13,15H2,1-3H3,(H,22,23).
What are the key properties of 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide has a molecular weight of 436.58 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 55987367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).