N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide

C22H27N3O5S2 — CID 5198517

IUPACN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H27N3O5S2/c26-22(17-31-18-4-2-1-3-5-18)23-20-16-19(32(27,28)25-10-14-30-15-11-25)6-7-21(20)24-8-12-29-13-9-24/h1-7,16H,8-15,17H2,(H,23,26)
InChIKeyGZFZTQLKKNBNOT-UHFFFAOYSA-N
MW477.61 g/mol
LogP2.27
Rot. Bonds7

About N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide (PubChem CID 5198517) has the molecular formula C22H27N3O5S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
PubChem CID5198517
Molecular FormulaC22H27N3O5S2
Molecular Weight477.61 g/mol
Exact Mass477.14
IUPAC NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H27N3O5S2/c26-22(17-31-18-4-2-1-3-5-18)23-20-16-19(32(27,28)25-10-14-30-15-11-25)6-7-21(20)24-8-12-29-13-9-24/h1-7,16H,8-15,17H2,(H,23,26)
InChIKeyGZFZTQLKKNBNOT-UHFFFAOYSA-N
XLogP2.27
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide (CID 5198517) is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is GZFZTQLKKNBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S2/c26-22(17-31-18-4-2-1-3-5-18)23-20-16-19(32(27,28)25-10-14-30-15-11-25)6-7-21(20)24-8-12-29-13-9-24/h1-7,16H,8-15,17H2,(H,23,26).
What are the key properties of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 477.61 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 5198517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).