N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide

C23H28N2O6S — CID 39904648

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O6S/c1-29-20-8-7-19(17-21(20)32(27,28)25-11-15-31-16-12-25)24-22(26)23(9-13-30-14-10-23)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3,(H,24,26)
InChIKeyKFDBNYJSTDDZSS-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.40
Rot. Bonds6

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide (PubChem CID 39904648) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
PubChem CID39904648
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O6S/c1-29-20-8-7-19(17-21(20)32(27,28)25-11-15-31-16-12-25)24-22(26)23(9-13-30-14-10-23)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3,(H,24,26)
InChIKeyKFDBNYJSTDDZSS-UHFFFAOYSA-N
XLogP2.40
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119264839
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4840075
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide
CID 55831593
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide (CID 39904648) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide?
The InChIKey is KFDBNYJSTDDZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-29-20-8-7-19(17-21(20)32(27,28)25-11-15-31-16-12-25)24-22(26)23(9-13-30-14-10-23)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3,(H,24,26).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 39904648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).