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

C16H22N4O4S — CID 113157278

IUPAC2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)20(15-4-2-3-14(11-15)12-17)13-16(21)18-5-6-19-7-9-24-10-8-19/h2-4,11H,5-10,13H2,1H3,(H,18,21)
InChIKeyYCZOTMNDUSVTOY-UHFFFAOYSA-N
MW366.44 g/mol
LogP-0.23
Rot. Bonds7

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

2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 113157278) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID113157278
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)20(15-4-2-3-14(11-15)12-17)13-16(21)18-5-6-19-7-9-24-10-8-19/h2-4,11H,5-10,13H2,1H3,(H,18,21)
InChIKeyYCZOTMNDUSVTOY-UHFFFAOYSA-N
XLogP-0.23
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
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
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113154221
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50946442
N-(2-morpholin-4-ylethyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157492
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6492929
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (CID 113157278) is 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YCZOTMNDUSVTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-25(22,23)20(15-4-2-3-14(11-15)12-17)13-16(21)18-5-6-19-7-9-24-10-8-19/h2-4,11H,5-10,13H2,1H3,(H,18,21).
What are the key properties of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 366.44 g/mol, XLogP of -0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 113157278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).