ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate

C19H21Cl2NO4S — CID 40844974

IUPACethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C)c1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H21Cl2NO4S/c1-4-26-18(23)11-16(14-7-5-12(2)6-8-14)22-27(24,25)17-10-9-15(20)13(3)19(17)21/h5-10,16,22H,4,11H2,1-3H3/t16-/m1/s1
InChIKeyIPXPWJNHUDYXGN-MRXNPFEDSA-N
MW430.35 g/mol
LogP4.58
Rot. Bonds7

About ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate

ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate (PubChem CID 40844974) has the molecular formula C19H21Cl2NO4S and a molecular weight of 430.35 g/mol. Its IUPAC name is ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
PubChem CID40844974
Molecular FormulaC19H21Cl2NO4S
Molecular Weight430.35 g/mol
Exact Mass429.06
IUPAC Nameethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C)c1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H21Cl2NO4S/c1-4-26-18(23)11-16(14-7-5-12(2)6-8-14)22-27(24,25)17-10-9-15(20)13(3)19(17)21/h5-10,16,22H,4,11H2,1-3H3/t16-/m1/s1
InChIKeyIPXPWJNHUDYXGN-MRXNPFEDSA-N
XLogP4.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)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

ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 40850106
ethyl (3R)-3-(4-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7044296
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844788
ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40884931
ethyl (3R)-3-[(2,5-diethoxyphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 41092589
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943
ethyl 3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164862354
ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3952917
ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3631613
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate (CID 40844974) is ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate is CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C)c1Cl)c1ccc(C)cc1.
What is the InChIKey of ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The InChIKey is IPXPWJNHUDYXGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21Cl2NO4S/c1-4-26-18(23)11-16(14-7-5-12(2)6-8-14)22-27(24,25)17-10-9-15(20)13(3)19(17)21/h5-10,16,22H,4,11H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate has a molecular weight of 430.35 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 40844974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).