2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide

C16H25N3O4S2 — CID 50945905

IUPAC2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCSc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H25N3O4S2/c1-24-15-5-3-4-14(12-15)19(25(2,21)22)13-16(20)17-6-7-18-8-10-23-11-9-18/h3-5,12H,6-11,13H2,1-2H3,(H,17,20)
InChIKeyCBRNJZQCWFEATB-UHFFFAOYSA-N
MW387.53 g/mol
LogP0.62
Rot. Bonds8

About 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide

2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 50945905) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID50945905
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC Name2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCSc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H25N3O4S2/c1-24-15-5-3-4-14(12-15)19(25(2,21)22)13-16(20)17-6-7-18-8-10-23-11-9-18/h3-5,12H,6-11,13H2,1-2H3,(H,17,20)
InChIKeyCBRNJZQCWFEATB-UHFFFAOYSA-N
XLogP0.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (CID 50945905) is 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is CSc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is CBRNJZQCWFEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-24-15-5-3-4-14(12-15)19(25(2,21)22)13-16(20)17-6-7-18-8-10-23-11-9-18/h3-5,12H,6-11,13H2,1-2H3,(H,17,20).
What are the key properties of 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 387.53 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 50945905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).