2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide

C24H34N4O5S2 — CID 155136490

IUPAC2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC(C)(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCNC(=O)C1
InChIInChI=1S/C24H34N4O5S2/c1-15-22(34-23(26-15)27-24(2,3)17-8-11-33-12-9-17)16-5-6-19(32-4)20(13-16)35(30,31)28-18-7-10-25-21(29)14-18/h5-6,13,17-18,28H,7-12,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyXXXFVAMBCSLMOM-UHFFFAOYSA-N
MW522.69 g/mol
LogP3.30
Rot. Bonds8

About 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide

2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide (PubChem CID 155136490) has the molecular formula C24H34N4O5S2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide
PubChem CID155136490
Molecular FormulaC24H34N4O5S2
Molecular Weight522.69 g/mol
Exact Mass522.20
IUPAC Name2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC(C)(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCNC(=O)C1
InChIInChI=1S/C24H34N4O5S2/c1-15-22(34-23(26-15)27-24(2,3)17-8-11-33-12-9-17)16-5-6-19(32-4)20(13-16)35(30,31)28-18-7-10-25-21(29)14-18/h5-6,13,17-18,28H,7-12,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyXXXFVAMBCSLMOM-UHFFFAOYSA-N
XLogP3.30
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide (CID 155136490) is 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide is COc1ccc(-c2sc(NC(C)(C)C3CCOCC3)nc2C)cc1S(=O)(=O)NC1CCNC(=O)C1.
What is the InChIKey of 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide?
The InChIKey is XXXFVAMBCSLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S2/c1-15-22(34-23(26-15)27-24(2,3)17-8-11-33-12-9-17)16-5-6-19(32-4)20(13-16)35(30,31)28-18-7-10-25-21(29)14-18/h5-6,13,17-18,28H,7-12,14H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide?
2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide has a molecular weight of 522.69 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-methyl-2-[2-(oxan-4-yl)propan-2-ylamino]-1,3-thiazol-5-yl]-N-(2-oxopiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 155136490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).