N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide

C23H30N2O6S — CID 55831593

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide
SMILESCOc1ccc(NC(=O)CCCOCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H30N2O6S/c1-29-21-10-9-20(18-22(21)32(27,28)25-12-16-31-17-13-25)24-23(26)8-5-14-30-15-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3,(H,24,26)
InChIKeyKFQPMDHGDXUKRA-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.69
Rot. Bonds11

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide (PubChem CID 55831593) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide
PubChem CID55831593
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide
SMILESCOc1ccc(NC(=O)CCCOCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H30N2O6S/c1-29-21-10-9-20(18-22(21)32(27,28)25-12-16-31-17-13-25)24-23(26)8-5-14-30-15-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3,(H,24,26)
InChIKeyKFQPMDHGDXUKRA-UHFFFAOYSA-N
XLogP2.69
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4840075
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide (CID 55831593) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide is COc1ccc(NC(=O)CCCOCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide?
The InChIKey is KFQPMDHGDXUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-29-21-10-9-20(18-22(21)32(27,28)25-12-16-31-17-13-25)24-23(26)8-5-14-30-15-11-19-6-3-2-4-7-19/h2-4,6-7,9-10,18H,5,8,11-17H2,1H3,(H,24,26).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide has a molecular weight of 462.57 g/mol, XLogP of 2.69, 11 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-(2-phenylethoxy)butanamide is sourced from PubChem (CID 55831593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).