2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide

C20H26N4O5S3 — CID 4868872

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1csc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)n1
InChIInChI=1S/C20H26N4O5S3/c1-15-13-30-20(21-15)31-14-19(25)22-17-12-16(32(26,27)24-6-10-29-11-7-24)2-3-18(17)23-4-8-28-9-5-23/h2-3,12-13H,4-11,14H2,1H3,(H,22,25)
InChIKeyNQXLXTPGUIQTQL-UHFFFAOYSA-N
MW498.65 g/mol
LogP2.04
Rot. Bonds7

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4868872) has the molecular formula C20H26N4O5S3 and a molecular weight of 498.65 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4868872
Molecular FormulaC20H26N4O5S3
Molecular Weight498.65 g/mol
Exact Mass498.11
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1csc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)n1
InChIInChI=1S/C20H26N4O5S3/c1-15-13-30-20(21-15)31-14-19(25)22-17-12-16(32(26,27)24-6-10-29-11-7-24)2-3-18(17)23-4-8-28-9-5-23/h2-3,12-13H,4-11,14H2,1H3,(H,22,25)
InChIKeyNQXLXTPGUIQTQL-UHFFFAOYSA-N
XLogP2.04
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 4868872) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1csc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NQXLXTPGUIQTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S3/c1-15-13-30-20(21-15)31-14-19(25)22-17-12-16(32(26,27)24-6-10-29-11-7-24)2-3-18(17)23-4-8-28-9-5-23/h2-3,12-13H,4-11,14H2,1H3,(H,22,25).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 498.65 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4868872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).