N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C21H25N5O5S2 — CID 27955175

IUPACN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C21H25N5O5S2/c1-15(2)31-18-7-6-16(33(28,29)25-9-11-30-12-10-25)13-17(18)22-20(27)14-32-21-24-23-19-5-3-4-8-26(19)21/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,27)
InChIKeySQLIDIZYSZKOPV-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.27
Rot. Bonds8

About N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 27955175) has the molecular formula C21H25N5O5S2 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID27955175
Molecular FormulaC21H25N5O5S2
Molecular Weight491.60 g/mol
Exact Mass491.13
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C21H25N5O5S2/c1-15(2)31-18-7-6-16(33(28,29)25-9-11-30-12-10-25)13-17(18)22-20(27)14-32-21-24-23-19-5-3-4-8-26(19)21/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,27)
InChIKeySQLIDIZYSZKOPV-UHFFFAOYSA-N
XLogP2.27
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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2-(2-chlorophenyl)sulfanyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
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N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
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2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-N-(2-phenylethyl)acetamide
CID 55346937
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CID 18291958
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
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2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969524
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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 27955175) is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2ccccn12.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is SQLIDIZYSZKOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S2/c1-15(2)31-18-7-6-16(33(28,29)25-9-11-30-12-10-25)13-17(18)22-20(27)14-32-21-24-23-19-5-3-4-8-26(19)21/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,27).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 491.60 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 27955175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).