2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C19H27N5O5S2 — CID 24649288

IUPAC2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1n[nH]c(C(C)(C)C)n1
InChIInChI=1S/C19H27N5O5S2/c1-19(2,3)17-21-18(23-22-17)30-12-16(25)20-14-11-13(5-6-15(14)28-4)31(26,27)24-7-9-29-10-8-24/h5-6,11H,7-10,12H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyDOYFSUMTQOQUOF-UHFFFAOYSA-N
MW469.59 g/mol
LogP1.86
Rot. Bonds7

About 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 24649288) has the molecular formula C19H27N5O5S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID24649288
Molecular FormulaC19H27N5O5S2
Molecular Weight469.59 g/mol
Exact Mass469.15
IUPAC Name2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1n[nH]c(C(C)(C)C)n1
InChIInChI=1S/C19H27N5O5S2/c1-19(2,3)17-21-18(23-22-17)30-12-16(25)20-14-11-13(5-6-15(14)28-4)31(26,27)24-7-9-29-10-8-24/h5-6,11H,7-10,12H2,1-4H3,(H,20,25)(H,21,22,23)
InChIKeyDOYFSUMTQOQUOF-UHFFFAOYSA-N
XLogP1.86
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16603344
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4964722
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2361261
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 35942255
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969524
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3974867
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4839885

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 24649288) is 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1n[nH]c(C(C)(C)C)n1.
What is the InChIKey of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is DOYFSUMTQOQUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5S2/c1-19(2,3)17-21-18(23-22-17)30-12-16(25)20-14-11-13(5-6-15(14)28-4)31(26,27)24-7-9-29-10-8-24/h5-6,11H,7-10,12H2,1-4H3,(H,20,25)(H,21,22,23).
What are the key properties of 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 469.59 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 24649288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).