ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate

C19H28O6S — CID 123321770

IUPACethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate
SMILESCCOC(=O)C(OC(CC)CCOC)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C19H28O6S/c1-4-15(12-13-23-3)25-18(19(20)24-5-2)14-6-8-16(9-7-14)26(21,22)17-10-11-17/h6-9,15,17-18H,4-5,10-13H2,1-3H3
InChIKeyIAWXCPSUBODTBB-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.06
Rot. Bonds11

About ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate

ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate (PubChem CID 123321770) has the molecular formula C19H28O6S and a molecular weight of 384.49 g/mol. Its IUPAC name is ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate
PubChem CID123321770
Molecular FormulaC19H28O6S
Molecular Weight384.49 g/mol
Exact Mass384.16
IUPAC Nameethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate
SMILESCCOC(=O)C(OC(CC)CCOC)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C19H28O6S/c1-4-15(12-13-23-3)25-18(19(20)24-5-2)14-6-8-16(9-7-14)26(21,22)17-10-11-17/h6-9,15,17-18H,4-5,10-13H2,1-3H3
InChIKeyIAWXCPSUBODTBB-UHFFFAOYSA-N
XLogP3.06
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate 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

ethyl 2-bromo-2-(4-cyclopropylsulfonylphenyl)acetate
CID 59610021
(2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid
CID 11588721
ethyl 2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]propanoate
CID 59285460
1-butoxy-4-cyclopropylsulfonylbenzene
CID 170120338
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
1-(1-bromoethyl)-4-cyclopropylsulfonylbenzene
CID 166150417
ethyl (2S)-2-[4-(trimethyl-λ4-sulfanyl)phenyl]propanoate
CID 146342720
ethyl 1-methoxypentan-3-yl carbonate
CID 155575061
ethyl 2-(4-bromophenyl)-4-methoxybutanoate
CID 143958624
2-(4-cyclopropylsulfonylphenyl)-N-methoxy-N-methyl-3-(oxan-4-yl)propanamide
CID 59331597
(3R)-1-[3,5-dichloro-4-(4-cyclopropylsulfonylphenyl)phenyl]-3-(4-ethylsulfonylphenyl)-4-methoxybutan-2-one
CID 167534877
2-amino-1-(4-cyclopentylsulfonylphenyl)ethanol
CID 82501956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate?
The IUPAC name of ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate (CID 123321770) is ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate.
What is the SMILES notation for ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate?
The canonical SMILES for ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate is CCOC(=O)C(OC(CC)CCOC)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate?
The InChIKey is IAWXCPSUBODTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6S/c1-4-15(12-13-23-3)25-18(19(20)24-5-2)14-6-8-16(9-7-14)26(21,22)17-10-11-17/h6-9,15,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate?
ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate has a molecular weight of 384.49 g/mol, XLogP of 3.06, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(1-methoxypentan-3-yloxy)acetate is sourced from PubChem (CID 123321770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).