methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate

C22H22N2O7S — CID 43032351

IUPACmethyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C22H22N2O7S/c1-14(21(26)15-8-10-16(11-9-15)23-32(3,28)29)31-20(25)13-24-12-18(22(27)30-2)17-6-4-5-7-19(17)24/h4-12,14,23H,13H2,1-3H3
InChIKeyAJHFBDKJXODVEY-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.61
Rot. Bonds8

About methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate (PubChem CID 43032351) has the molecular formula C22H22N2O7S and a molecular weight of 458.49 g/mol. Its IUPAC name is methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate
PubChem CID43032351
Molecular FormulaC22H22N2O7S
Molecular Weight458.49 g/mol
Exact Mass458.11
IUPAC Namemethyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C22H22N2O7S/c1-14(21(26)15-8-10-16(11-9-15)23-32(3,28)29)31-20(25)13-24-12-18(22(27)30-2)17-6-4-5-7-19(17)24/h4-12,14,23H,13H2,1-3H3
InChIKeyAJHFBDKJXODVEY-UHFFFAOYSA-N
XLogP2.61
TPSA120.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate with MolForge

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Related Compounds

methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819650
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetate
CID 55357909
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55357203
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 25407497
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8582611
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 46805687
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate (CID 43032351) is methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc12.
What is the InChIKey of methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?
The InChIKey is AJHFBDKJXODVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7S/c1-14(21(26)15-8-10-16(11-9-15)23-32(3,28)29)31-20(25)13-24-12-18(22(27)30-2)17-6-4-5-7-19(17)24/h4-12,14,23H,13H2,1-3H3.
What are the key properties of methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate has a molecular weight of 458.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 43032351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).