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

C16H25N3O4S — CID 6493657

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H25N3O4S/c1-14-4-3-5-15(12-14)19(24(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)
InChIKeyGJFLFHDOTHXKCJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.21
Rot. Bonds7

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

2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 6493657) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID6493657
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H25N3O4S/c1-14-4-3-5-15(12-14)19(24(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)
InChIKeyGJFLFHDOTHXKCJ-UHFFFAOYSA-N
XLogP0.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 6492950
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30278155
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50946442
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (CID 6493657) is 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cccc(N(CC(=O)NCCN2CCOCC2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is GJFLFHDOTHXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-14-4-3-5-15(12-14)19(24(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-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 6493657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).