ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate

C18H20ClNO4S — CID 50895722

IUPACethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20ClNO4S/c1-4-24-18(21)12-20(17-7-5-6-16(19)14(17)3)25(22,23)15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3
InChIKeyFYUVUIQZCUKPNA-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.72
Rot. Bonds6

About ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate

ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 50895722) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID50895722
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Nameethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20ClNO4S/c1-4-24-18(21)12-20(17-7-5-6-16(19)14(17)3)25(22,23)15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3
InChIKeyFYUVUIQZCUKPNA-UHFFFAOYSA-N
XLogP3.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676647
N,N-dibenzyl-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891702
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 53279477
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutyl)acetamide
CID 58009611
2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132693347
ethyl 2-(2,3-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517214
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 71022503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate (CID 50895722) is ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate is CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is FYUVUIQZCUKPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-4-24-18(21)12-20(17-7-5-6-16(19)14(17)3)25(22,23)15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 381.88 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50895722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).