methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate

C26H27N3O8S2 — CID 154653289

IUPACmethyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc2c(NS(=O)(=O)c3ccc(OC)cc3)cccc2[nH]1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H27N3O8S2/c1-35-19-7-11-21(12-8-19)38(31,32)28-25-6-4-5-24-23(25)15-18(27-24)16-29(17-26(30)37-3)39(33,34)22-13-9-20(36-2)10-14-22/h4-15,27-28H,16-17H2,1-3H3
InChIKeyYEECFTXYWBVLMZ-UHFFFAOYSA-N
MW573.65 g/mol
LogP3.35
Rot. Bonds11

About methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate

methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate (PubChem CID 154653289) has the molecular formula C26H27N3O8S2 and a molecular weight of 573.65 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate
PubChem CID154653289
Molecular FormulaC26H27N3O8S2
Molecular Weight573.65 g/mol
Exact Mass573.12
IUPAC Namemethyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc2c(NS(=O)(=O)c3ccc(OC)cc3)cccc2[nH]1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H27N3O8S2/c1-35-19-7-11-21(12-8-19)38(31,32)28-25-6-4-5-24-23(25)15-18(27-24)16-29(17-26(30)37-3)39(33,34)22-13-9-20(36-2)10-14-22/h4-15,27-28H,16-17H2,1-3H3
InChIKeyYEECFTXYWBVLMZ-UHFFFAOYSA-N
XLogP3.35
TPSA144.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate with MolForge

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Related Compounds

4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
CID 118337075
ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
CID 10691967
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetic acid
CID 77461035
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide
CID 177380626
methyl 2-[[4-(4-fluorobutoxy)phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]acetate
CID 67436058
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 3456626
2-(4-methoxyphenyl)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 38011386
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate (CID 154653289) is methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate is COC(=O)CN(Cc1cc2c(NS(=O)(=O)c3ccc(OC)cc3)cccc2[nH]1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate?
The InChIKey is YEECFTXYWBVLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O8S2/c1-35-19-7-11-21(12-8-19)38(31,32)28-25-6-4-5-24-23(25)15-18(27-24)16-29(17-26(30)37-3)39(33,34)22-13-9-20(36-2)10-14-22/h4-15,27-28H,16-17H2,1-3H3.
What are the key properties of methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate?
methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate has a molecular weight of 573.65 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)sulfonyl-[[4-[(4-methoxyphenyl)sulfonylamino]-1H-indol-2-yl]methyl]amino]acetate is sourced from PubChem (CID 154653289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).