methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate

C15H15Cl2NO2S — CID 60565308

IUPACmethyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-20-15(19)10-18(9-13-6-7-14(17)21-13)8-11-2-4-12(16)5-3-11/h2-7H,8-10H2,1H3
InChIKeyYKMVITZLWAVMPX-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.23
Rot. Bonds6

About methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate

methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate (PubChem CID 60565308) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate
PubChem CID60565308
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H15Cl2NO2S/c1-20-15(19)10-18(9-13-6-7-14(17)21-13)8-11-2-4-12(16)5-3-11/h2-7H,8-10H2,1H3
InChIKeyYKMVITZLWAVMPX-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
CID 110908434
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
CID 34704743
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
methyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]butanoate
CID 62013274
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
methyl 2-[(4-chlorophenyl)methyl-(4-cyanothiophene-2-carbonyl)amino]acetate
CID 71859445
N'-[(4-chlorophenyl)methyl]-N-[(5-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 62556355
methyl 2-[(4-chlorophenyl)methyl-[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]acetate
CID 87005816
methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
CID 65477944
methyl 2-[(4-chlorophenyl)methyl-(4-iodobenzoyl)amino]acetate
CID 52655224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate (CID 60565308) is methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)s1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate?
The InChIKey is YKMVITZLWAVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-20-15(19)10-18(9-13-6-7-14(17)21-13)8-11-2-4-12(16)5-3-11/h2-7H,8-10H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate has a molecular weight of 344.26 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-[(5-chlorothiophen-2-yl)methyl]amino]acetate is sourced from PubChem (CID 60565308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).