ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate

C15H21Cl2NO2S — CID 63466915

IUPACethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CSc1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C15H21Cl2NO2S/c1-4-8-18-15(3,14(19)20-5-2)10-21-13-9-11(16)6-7-12(13)17/h6-7,9,18H,4-5,8,10H2,1-3H3
InChIKeyMGOXECCHEMAEAJ-UHFFFAOYSA-N
MW350.31 g/mol
LogP4.41
Rot. Bonds8

About ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate

ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate (PubChem CID 63466915) has the molecular formula C15H21Cl2NO2S and a molecular weight of 350.31 g/mol. Its IUPAC name is ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate
PubChem CID63466915
Molecular FormulaC15H21Cl2NO2S
Molecular Weight350.31 g/mol
Exact Mass349.07
IUPAC Nameethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(CSc1cc(Cl)ccc1Cl)C(=O)OCC
InChIInChI=1S/C15H21Cl2NO2S/c1-4-8-18-15(3,14(19)20-5-2)10-21-13-9-11(16)6-7-12(13)17/h6-7,9,18H,4-5,8,10H2,1-3H3
InChIKeyMGOXECCHEMAEAJ-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 63466916
1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496192
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
ethyl 2-(2,5-dichlorophenyl)sulfanylpentanoate
CID 83038841
ethyl 3-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propylamino)propanoate
CID 66137754
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
2-[2-(bromomethyl)-2-propylpentyl]sulfanyl-1,4-dichlorobenzene
CID 65006092
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(4-chloroanilino)-2-methylpentanoate
CID 54890839
ethyl 2-methyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanoate
CID 63658515
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
CID 61025629
ethyl 4-chloro-3-ethylsulfanylbenzoate
CID 91876324

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate?
The IUPAC name of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate (CID 63466915) is ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate?
The canonical SMILES for ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate is CCCNC(C)(CSc1cc(Cl)ccc1Cl)C(=O)OCC.
What is the InChIKey of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate?
The InChIKey is MGOXECCHEMAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2S/c1-4-8-18-15(3,14(19)20-5-2)10-21-13-9-11(16)6-7-12(13)17/h6-7,9,18H,4-5,8,10H2,1-3H3.
What are the key properties of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate?
ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate has a molecular weight of 350.31 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate is sourced from PubChem (CID 63466915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).