2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide

C18H27N3O5S2 — CID 43077352

IUPAC2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCSC(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C18H27N3O5S2/c1-14(27-2)18(22)19-16-13-15(28(23,24)21-7-11-26-12-8-21)3-4-17(16)20-5-9-25-10-6-20/h3-4,13-14H,5-12H2,1-2H3,(H,19,22)
InChIKeyKUMCOMWISILCMA-UHFFFAOYSA-N
MW429.56 g/mol
LogP1.23
Rot. Bonds6

About 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide

2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 43077352) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID43077352
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC Name2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCSC(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C18H27N3O5S2/c1-14(27-2)18(22)19-16-13-15(28(23,24)21-7-11-26-12-8-21)3-4-17(16)20-5-9-25-10-6-20/h3-4,13-14H,5-12H2,1-2H3,(H,19,22)
InChIKeyKUMCOMWISILCMA-UHFFFAOYSA-N
XLogP1.23
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 56801922
(2R)-2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 95599206
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41214377
2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
CID 31010638
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55605896
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 5207383

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 43077352) is 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide is CSC(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is KUMCOMWISILCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-14(27-2)18(22)19-16-13-15(28(23,24)21-7-11-26-12-8-21)3-4-17(16)20-5-9-25-10-6-20/h3-4,13-14H,5-12H2,1-2H3,(H,19,22).
What are the key properties of 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide?
2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 429.56 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 43077352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).