2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate

C17H18NO5S- — CID 2273005

IUPAC2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCOc1ccc(C)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)24(21,22)18(11-17(19)20)15-10-13(2)6-9-16(15)23-3/h4-10H,11H2,1-3H3,(H,19,20)/p-1
InChIKeyXHKZNQPUPAJKTR-UHFFFAOYSA-M
MW348.40 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate

2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 2273005) has the molecular formula C17H18NO5S- and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID2273005
Molecular FormulaC17H18NO5S-
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCOc1ccc(C)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)24(21,22)18(11-17(19)20)15-10-13(2)6-9-16(15)23-3/h4-10H,11H2,1-3H3,(H,19,20)/p-1
InChIKeyXHKZNQPUPAJKTR-UHFFFAOYSA-M
XLogP1.26
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30307214
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172216
ethyl 2-(2-methoxy-5-methyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100527321
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1336957
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
ethyl 2-(2-methoxy-5-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517701

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate (CID 2273005) is 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate is COc1ccc(C)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is XHKZNQPUPAJKTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)24(21,22)18(11-17(19)20)15-10-13(2)6-9-16(15)23-3/h4-10H,11H2,1-3H3,(H,19,20)/p-1.
What are the key properties of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate?
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 348.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 2273005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).