N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide

C18H21N3O4S2 — CID 4009656

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21N3O4S2/c1-14-5-6-15(20-17(22)13-26-18-4-2-3-7-19-18)12-16(14)27(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,22)
InChIKeyIOOCHCFHHMEQLP-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.14
Rot. Bonds6

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 4009656) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID4009656
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21N3O4S2/c1-14-5-6-15(20-17(22)13-26-18-4-2-3-7-19-18)12-16(14)27(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,22)
InChIKeyIOOCHCFHHMEQLP-UHFFFAOYSA-N
XLogP2.14
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 4009656) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2ccccn2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is IOOCHCFHHMEQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-14-5-6-15(20-17(22)13-26-18-4-2-3-7-19-18)12-16(14)27(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 407.52 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 4009656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).