ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate

C20H24ClNO5S — CID 4018331

IUPACethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1Cl
InChIInChI=1S/C20H24ClNO5S/c1-5-27-20(23)12-17(15-8-6-7-9-16(15)21)22-28(24,25)19-11-13(2)18(26-4)10-14(19)3/h6-11,17,22H,5,12H2,1-4H3
InChIKeyOWMULUSWLJRPAP-UHFFFAOYSA-N
MW425.93 g/mol
LogP3.94
Rot. Bonds8

About ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate

ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate (PubChem CID 4018331) has the molecular formula C20H24ClNO5S and a molecular weight of 425.93 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
PubChem CID4018331
Molecular FormulaC20H24ClNO5S
Molecular Weight425.93 g/mol
Exact Mass425.11
IUPAC Nameethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1Cl
InChIInChI=1S/C20H24ClNO5S/c1-5-27-20(23)12-17(15-8-6-7-9-16(15)21)22-28(24,25)19-11-13(2)18(26-4)10-14(19)3/h6-11,17,22H,5,12H2,1-4H3
InChIKeyOWMULUSWLJRPAP-UHFFFAOYSA-N
XLogP3.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.93
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate 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

4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3952917
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228
ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40884931
ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3631613
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
(3S)-3-(2-chlorophenyl)-3-[(4-ethoxycarbonylphenyl)sulfonylamino]propanoate
CID 2400773
ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 40850106
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
methyl 3-(2-chlorophenyl)-3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]propanoate
CID 56586996
ethyl (3S)-3-(2-chlorophenyl)-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoate
CID 2139759

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate (CID 4018331) is ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate is CCOC(=O)CC(NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate?
The InChIKey is OWMULUSWLJRPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO5S/c1-5-27-20(23)12-17(15-8-6-7-9-16(15)21)22-28(24,25)19-11-13(2)18(26-4)10-14(19)3/h6-11,17,22H,5,12H2,1-4H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate?
ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate has a molecular weight of 425.93 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 4018331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).