2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

C16H25N3O4S — CID 119690147

IUPAC2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-13(11-17-2)16(20)18-12-14-3-5-15(6-4-14)24(21,22)19-7-9-23-10-8-19/h3-6,13,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyRGXGUZZIWTXITO-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.18
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (PubChem CID 119690147) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
PubChem CID119690147
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-13(11-17-2)16(20)18-12-14-3-5-15(6-4-14)24(21,22)19-7-9-23-10-8-19/h3-6,13,17H,7-12H2,1-2H3,(H,18,20)
InChIKeyRGXGUZZIWTXITO-UHFFFAOYSA-N
XLogP0.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
2-methyl-3-(methylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119735907
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
CID 41198913
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
4-chloro-N-[(2S)-3-methyl-1-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-1-oxobutan-2-yl]benzamide
CID 31336859

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (CID 119690147) is 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is CNCC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is RGXGUZZIWTXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13(11-17-2)16(20)18-12-14-3-5-15(6-4-14)24(21,22)19-7-9-23-10-8-19/h3-6,13,17H,7-12H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 119690147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).