2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide

C19H19Cl2N5O3S — CID 19644434

IUPAC2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNn2cnnc2SCc2ccccc2Cl)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H19Cl2N5O3S/c1-28-16-7-12(6-15(21)18(16)29-9-17(22)27)8-24-26-11-23-25-19(26)30-10-13-4-2-3-5-14(13)20/h2-7,11,24H,8-10H2,1H3,(H2,22,27)
InChIKeyRHIWETFDEYRKCW-UHFFFAOYSA-N
MW468.37 g/mol
LogP3.49
Rot. Bonds10

About 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide (PubChem CID 19644434) has the molecular formula C19H19Cl2N5O3S and a molecular weight of 468.37 g/mol. Its IUPAC name is 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide
PubChem CID19644434
Molecular FormulaC19H19Cl2N5O3S
Molecular Weight468.37 g/mol
Exact Mass467.06
IUPAC Name2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNn2cnnc2SCc2ccccc2Cl)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H19Cl2N5O3S/c1-28-16-7-12(6-15(21)18(16)29-9-17(22)27)8-24-26-11-23-25-19(26)30-10-13-4-2-3-5-14(13)20/h2-7,11,24H,8-10H2,1H3,(H2,22,27)
InChIKeyRHIWETFDEYRKCW-UHFFFAOYSA-N
XLogP3.49
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide with MolForge

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 1017030
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide
CID 119934631
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 19644648
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6462700
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[2-chloro-6-ethoxy-4-[[[3-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methyl]phenoxy]acetamide
CID 4726576
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide (CID 19644434) is 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide is COc1cc(CNn2cnnc2SCc2ccccc2Cl)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
The InChIKey is RHIWETFDEYRKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3S/c1-28-16-7-12(6-15(21)18(16)29-9-17(22)27)8-24-26-11-23-25-19(26)30-10-13-4-2-3-5-14(13)20/h2-7,11,24H,8-10H2,1H3,(H2,22,27).
What are the key properties of 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide has a molecular weight of 468.37 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 19644434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).