N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide

C16H24N2O6S — CID 110296118

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESCOc1ccc(OCCNC(=O)CCS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O6S/c1-22-14-2-4-15(5-3-14)24-10-7-17-16(19)6-13-25(20,21)18-8-11-23-12-9-18/h2-5H,6-13H2,1H3,(H,17,19)
InChIKeyAUXOTBDAHFFNNP-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.24
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide

N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide (PubChem CID 110296118) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
PubChem CID110296118
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESCOc1ccc(OCCNC(=O)CCS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O6S/c1-22-14-2-4-15(5-3-14)24-10-7-17-16(19)6-13-25(20,21)18-8-11-23-12-9-18/h2-5H,6-13H2,1H3,(H,17,19)
InChIKeyAUXOTBDAHFFNNP-UHFFFAOYSA-N
XLogP0.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.24
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

2-[2-(3-morpholin-4-ylsulfonylpropanoylamino)ethoxy]acetic acid
CID 79469301
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110618498
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
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CID 109031021
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959866
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
CID 55519495
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014538
3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305020

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide (CID 110296118) is N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide is COc1ccc(OCCNC(=O)CCS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide?
The InChIKey is AUXOTBDAHFFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-22-14-2-4-15(5-3-14)24-10-7-17-16(19)6-13-25(20,21)18-8-11-23-12-9-18/h2-5H,6-13H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide has a molecular weight of 372.44 g/mol, XLogP of 0.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide is sourced from PubChem (CID 110296118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).