N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide

C16H24N2O5S — CID 4578456

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O5S/c1-16(2,3)15(19)17-12-5-6-13(22-4)14(11-12)24(20,21)18-7-9-23-10-8-18/h5-6,11H,7-10H2,1-4H3,(H,17,19)
InChIKeyGAJUQBIQLDOEBC-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.70
Rot. Bonds4

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide (PubChem CID 4578456) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
PubChem CID4578456
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O5S/c1-16(2,3)15(19)17-12-5-6-13(22-4)14(11-12)24(20,21)18-7-9-23-10-8-18/h5-6,11H,7-10H2,1-4H3,(H,17,19)
InChIKeyGAJUQBIQLDOEBC-UHFFFAOYSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119677515
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
(2R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 8800265
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119264839
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide (CID 4578456) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide is COc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide?
The InChIKey is GAJUQBIQLDOEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-16(2,3)15(19)17-12-5-6-13(22-4)14(11-12)24(20,21)18-7-9-23-10-8-18/h5-6,11H,7-10H2,1-4H3,(H,17,19).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide has a molecular weight of 356.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4578456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).