(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C18H20ClNO5S — CID 46617678

IUPAC(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20ClNO5S/c1-13-4-7-16(8-5-13)26(22,23)20(2)11-18(21)25-12-14-10-15(19)6-9-17(14)24-3/h4-10H,11-12H2,1-3H3
InChIKeyUGYNWEJRSKIBMT-UHFFFAOYSA-N
MW397.88 g/mol
LogP3.02
Rot. Bonds7

About (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 46617678) has the molecular formula C18H20ClNO5S and a molecular weight of 397.88 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID46617678
Molecular FormulaC18H20ClNO5S
Molecular Weight397.88 g/mol
Exact Mass397.08
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(Cl)cc1COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20ClNO5S/c1-13-4-7-16(8-5-13)26(22,23)20(2)11-18(21)25-12-14-10-15(19)6-9-17(14)24-3/h4-10H,11-12H2,1-3H3
InChIKeyUGYNWEJRSKIBMT-UHFFFAOYSA-N
XLogP3.02
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-fluorophenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 42965831
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide
CID 55685943
[2-(4-methylphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2339654
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
(2,3-difluorophenyl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 27028903
[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 4794969
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 31047019
[4-(trifluoromethyl)phenyl]methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 27014370
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 27028957
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2202394
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
CID 43422565

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 46617678) is (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is COc1ccc(Cl)cc1COC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is UGYNWEJRSKIBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S/c1-13-4-7-16(8-5-13)26(22,23)20(2)11-18(21)25-12-14-10-15(19)6-9-17(14)24-3/h4-10H,11-12H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 397.88 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 46617678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).