[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

C19H21NO6S — CID 8582611

IUPAC[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H21NO6S/c1-13(26-19(22)16-6-4-5-14(11-16)12-25-2)18(21)15-7-9-17(10-8-15)20-27(3,23)24/h4-11,13,20H,12H2,1-3H3/t13-/m1/s1
InChIKeyYTEKRPCTZCXZIA-CYBMUJFWSA-N
MW391.45 g/mol
LogP2.63
Rot. Bonds8

About [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (PubChem CID 8582611) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
PubChem CID8582611
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H21NO6S/c1-13(26-19(22)16-6-4-5-14(11-16)12-25-2)18(21)15-7-9-17(10-8-15)20-27(3,23)24/h4-11,13,20H,12H2,1-3H3/t13-/m1/s1
InChIKeyYTEKRPCTZCXZIA-CYBMUJFWSA-N
XLogP2.63
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 55385903
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065153
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9064856
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065029
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065135
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 46666462
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 55528394
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 55392843
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998609
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The IUPAC name of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (CID 8582611) is [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.
What is the SMILES notation for [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The canonical SMILES for [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The InChIKey is YTEKRPCTZCXZIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-13(26-19(22)16-6-4-5-14(11-16)12-25-2)18(21)15-7-9-17(10-8-15)20-27(3,23)24/h4-11,13,20H,12H2,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate has a molecular weight of 391.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is sourced from PubChem (CID 8582611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).