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

C15H21Cl2NO2S — CID 63466916

IUPACethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(CSc1cc(Cl)ccc1Cl)NC(C)C
InChIInChI=1S/C15H21Cl2NO2S/c1-5-20-14(19)15(4,18-10(2)3)9-21-13-8-11(16)6-7-12(13)17/h6-8,10,18H,5,9H2,1-4H3
InChIKeyIIAWEPTXSBBWMC-UHFFFAOYSA-N
MW350.31 g/mol
LogP4.41
Rot. Bonds7

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

ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate (PubChem CID 63466916) 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-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
PubChem CID63466916
Molecular FormulaC15H21Cl2NO2S
Molecular Weight350.31 g/mol
Exact Mass349.07
IUPAC Nameethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(CSc1cc(Cl)ccc1Cl)NC(C)C
InChIInChI=1S/C15H21Cl2NO2S/c1-5-20-14(19)15(4,18-10(2)3)9-21-13-8-11(16)6-7-12(13)17/h6-8,10,18H,5,9H2,1-4H3
InChIKeyIIAWEPTXSBBWMC-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Analyze ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)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-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propylamino)propanoate
CID 63466915
4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63467093
methyl 3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate
CID 55101563
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
CID 61025629
1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496192
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanamide
CID 62647702
ethyl 3-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 66127261
ethyl 2-methyl-3-pentylsulfanyl-2-(propan-2-ylamino)propanoate
CID 107755603
methyl 3-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)propanoate
CID 114791697
ethyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63737842
ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
ethyl N-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]carbamate
CID 47266788

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate (CID 63466916) is ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate is CCOC(=O)C(C)(CSc1cc(Cl)ccc1Cl)NC(C)C.
What is the InChIKey of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate?
The InChIKey is IIAWEPTXSBBWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2S/c1-5-20-14(19)15(4,18-10(2)3)9-21-13-8-11(16)6-7-12(13)17/h6-8,10,18H,5,9H2,1-4H3.
What are the key properties of ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate?
ethyl 3-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propanoate has a molecular weight of 350.31 g/mol, XLogP of 4.41, 7 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-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63466916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).