3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide

C18H29NO6S — CID 70661427

IUPAC3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
SMILESCOCOCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C18H29NO6S/c1-15(19-26(20,21)12-4-9-24-14-22-2)16-5-3-6-18(13-16)25-17-7-10-23-11-8-17/h3,5-6,13,15,17,19H,4,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyUNXPISPYMONHBC-OAHLLOKOSA-N
MW387.50 g/mol
LogP2.24
Rot. Bonds11

About 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide

3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide (PubChem CID 70661427) has the molecular formula C18H29NO6S and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
PubChem CID70661427
Molecular FormulaC18H29NO6S
Molecular Weight387.50 g/mol
Exact Mass387.17
IUPAC Name3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
SMILESCOCOCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C18H29NO6S/c1-15(19-26(20,21)12-4-9-24-14-22-2)16-5-3-6-18(13-16)25-17-7-10-23-11-8-17/h3,5-6,13,15,17,19H,4,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyUNXPISPYMONHBC-OAHLLOKOSA-N
XLogP2.24
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 89127982
3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
CID 139451649
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
CID 146353248
5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
CID 155346979
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112
3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane
CID 158639413
N-[(1R)-1-[3-(cyclopentylmethoxy)phenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146352828
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 115005001
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide (CID 70661427) is 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide is COCOCCCS(=O)(=O)N[C@H](C)c1cccc(OC2CCOCC2)c1.
What is the InChIKey of 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide?
The InChIKey is UNXPISPYMONHBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29NO6S/c1-15(19-26(20,21)12-4-9-24-14-22-2)16-5-3-6-18(13-16)25-17-7-10-23-11-8-17/h3,5-6,13,15,17,19H,4,7-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide?
3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide has a molecular weight of 387.50 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 70661427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).