methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate

C24H28N2O7S — CID 171517975

IUPACmethyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate
SMILESCOC(=O)c1cc2cc(CNC(=O)OC(C)(C)C)n(S(=O)(=O)c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C24H28N2O7S/c1-15-7-9-18(10-8-15)34(29,30)26-17(14-25-23(28)33-24(2,3)4)11-16-12-19(22(27)32-6)21(31-5)13-20(16)26/h7-13H,14H2,1-6H3,(H,25,28)
InChIKeyUGFDQQRDWFXEOL-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.01
Rot. Bonds6

About methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate

methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate (PubChem CID 171517975) has the molecular formula C24H28N2O7S and a molecular weight of 488.56 g/mol. Its IUPAC name is methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate
PubChem CID171517975
Molecular FormulaC24H28N2O7S
Molecular Weight488.56 g/mol
Exact Mass488.16
IUPAC Namemethyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate
SMILESCOC(=O)c1cc2cc(CNC(=O)OC(C)(C)C)n(S(=O)(=O)c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C24H28N2O7S/c1-15-7-9-18(10-8-15)34(29,30)26-17(14-25-23(28)33-24(2,3)4)11-16-12-19(22(27)32-6)21(31-5)13-20(16)26/h7-13H,14H2,1-6H3,(H,25,28)
InChIKeyUGFDQQRDWFXEOL-UHFFFAOYSA-N
XLogP4.01
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate with MolForge

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Related Compounds

tert-butyl N-[[6-bromo-5-methoxy-1-(4-methylphenyl)sulfonylindol-2-yl]methyl]carbamate
CID 171518563
[6-bromo-5-methoxy-1-(4-methylphenyl)sulfonylindol-2-yl]methylcarbamic acid
CID 174242692
tert-butyl N-[2-(methylaminomethyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]carbamate
CID 142504316
[5-bromo-6-hydroxy-1-(4-methylphenyl)sulfonylindol-2-yl]methylcarbamic acid
CID 174242758
methanol;methyl 2-(chloromethyl)-6-methoxy-1-(4-methylphenyl)sulfanylindole-5-carboxylate
CID 171518413
tert-butyl N-[2-(4-methylphenyl)sulfonylethyl]carbamate
CID 67213765
methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
CID 70118140
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
1-methyl-N-[[1-(4-methylphenyl)sulfonyl-5-(1,2-oxazol-3-yl)-6-(1,3-thiazol-4-ylmethoxy)indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518634
[1,1,2,2-tetradeuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-methylbenzenesulfonate
CID 89368645
[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate
CID 10246973
methyl (1S,4R)-7-(4-methylphenyl)sulfonyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 10342190

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate?
The IUPAC name of methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate (CID 171517975) is methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate.
What is the SMILES notation for methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate?
The canonical SMILES for methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate is COC(=O)c1cc2cc(CNC(=O)OC(C)(C)C)n(S(=O)(=O)c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate?
The InChIKey is UGFDQQRDWFXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7S/c1-15-7-9-18(10-8-15)34(29,30)26-17(14-25-23(28)33-24(2,3)4)11-16-12-19(22(27)32-6)21(31-5)13-20(16)26/h7-13H,14H2,1-6H3,(H,25,28).
What are the key properties of methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate?
methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate has a molecular weight of 488.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-1-(4-methylphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-5-carboxylate is sourced from PubChem (CID 171517975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).