[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate

C24H32N2O7S — CID 55324552

IUPAC[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)C(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C24H32N2O7S/c1-6-32-20-9-7-18(8-10-20)15-26(4)22(27)16-33-24(28)23(17(2)3)25-34(29,30)21-13-11-19(31-5)12-14-21/h7-14,17,23,25H,6,15-16H2,1-5H3
InChIKeyJOGOFJSZDPVIQN-UHFFFAOYSA-N
MW492.59 g/mol
LogP2.60
Rot. Bonds12

About [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate (PubChem CID 55324552) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate.

Molecular Properties

Compound Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
PubChem CID55324552
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)C(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C24H32N2O7S/c1-6-32-20-9-7-18(8-10-20)15-26(4)22(27)16-33-24(28)23(17(2)3)25-34(29,30)21-13-11-19(31-5)12-14-21/h7-14,17,23,25H,6,15-16H2,1-5H3
InChIKeyJOGOFJSZDPVIQN-UHFFFAOYSA-N
XLogP2.60
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate with MolForge

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 55928067
(4-methoxyphenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 16578703
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2415202
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 51899633
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
ethyl 3-methyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoate
CID 2809519
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 55324521
benzyl (2R)-2-[[2-[2-[benzyl(methyl)amino]-2-oxoethyl]-4-methoxyphenyl]sulfonylamino]-3-methylbutanoate
CID 67585528
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323826
methyl 2-[4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenoxy]acetate
CID 55940508

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
The IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate (CID 55324552) is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate.
What is the SMILES notation for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
The canonical SMILES for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate is CCOc1ccc(CN(C)C(=O)COC(=O)C(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
The InChIKey is JOGOFJSZDPVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-6-32-20-9-7-18(8-10-20)15-26(4)22(27)16-33-24(28)23(17(2)3)25-34(29,30)21-13-11-19(31-5)12-14-21/h7-14,17,23,25H,6,15-16H2,1-5H3.
What are the key properties of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate?
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate has a molecular weight of 492.59 g/mol, XLogP of 2.60, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate is sourced from PubChem (CID 55324552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).