2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

C16H24N2O4S — CID 26521432

IUPAC2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-12-5-6-13(17-15(19)16(2,3)4)11-14(12)23(20,21)18-7-9-22-10-8-18/h5-6,11H,7-10H2,1-4H3,(H,17,19)
InChIKeyYHQNHNDKRMKNNN-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.00
Rot. Bonds3

About 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 26521432) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID26521432
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O4S/c1-12-5-6-13(17-15(19)16(2,3)4)11-14(12)23(20,21)18-7-9-22-10-8-18/h5-6,11H,7-10H2,1-4H3,(H,17,19)
InChIKeyYHQNHNDKRMKNNN-UHFFFAOYSA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide
CID 146025594
1-(3-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894570
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3576110
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6520380

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 26521432) is 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is YHQNHNDKRMKNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-5-6-13(17-15(19)16(2,3)4)11-14(12)23(20,21)18-7-9-22-10-8-18/h5-6,11H,7-10H2,1-4H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 26521432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).