methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate

C24H31NO7S — CID 70052990

IUPACmethyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
SMILESCOC(=O)c1cc(CCC(=O)OC(C)(C)C)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H31NO7S/c1-16-14-17(8-13-21(26)32-24(2,3)4)15-20(23(27)31-7)22(16)25(5)33(28,29)19-11-9-18(30-6)10-12-19/h9-12,14-15H,8,13H2,1-7H3
InChIKeyCGTUKQPTLHRCGL-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.89
Rot. Bonds8

About methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate

methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate (PubChem CID 70052990) has the molecular formula C24H31NO7S and a molecular weight of 477.58 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
PubChem CID70052990
Molecular FormulaC24H31NO7S
Molecular Weight477.58 g/mol
Exact Mass477.18
IUPAC Namemethyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
SMILESCOC(=O)c1cc(CCC(=O)OC(C)(C)C)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H31NO7S/c1-16-14-17(8-13-21(26)32-24(2,3)4)15-20(23(27)31-7)22(16)25(5)33(28,29)19-11-9-18(30-6)10-12-19/h9-12,14-15H,8,13H2,1-7H3
InChIKeyCGTUKQPTLHRCGL-UHFFFAOYSA-N
XLogP3.89
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
methyl 5-[(E)-3-[ethyl(pyridin-4-ylmethyl)amino]-3-oxoprop-1-enyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoate
CID 70133896
methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzoate
CID 70055629
methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 54295788
methyl 2-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 58128950
methyl 5-bromo-2-[[4-[4-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-ynoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoate
CID 11365683
1,5-bis[4-(4-methoxyphenyl)sulfonyl-3,5-dimethylphenyl]pentan-3-one
CID 174854090
2,6-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid
CID 164898756
methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 59163123
methyl 5-bromo-2-[(4-hept-2-ynoxyphenyl)sulfonyl-methylamino]-3-methylbenzoate
CID 101161784
tert-butyl 2-[(4-methoxyphenyl)sulfonyl-(2-oxoethyl)amino]acetate
CID 54356307
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate (CID 70052990) is methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate is COC(=O)c1cc(CCC(=O)OC(C)(C)C)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
The InChIKey is CGTUKQPTLHRCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO7S/c1-16-14-17(8-13-21(26)32-24(2,3)4)15-20(23(27)31-7)22(16)25(5)33(28,29)19-11-9-18(30-6)10-12-19/h9-12,14-15H,8,13H2,1-7H3.
What are the key properties of methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate?
methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate has a molecular weight of 477.58 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate is sourced from PubChem (CID 70052990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).