N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide

C29H32N2O6S — CID 68559773

IUPACN-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide
SMILESCCOc1ccc2c(c1)C(C)(c1cccc(OC)c1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C29H32N2O6S/c1-7-37-22-13-16-25-24(18-22)29(5,20-9-8-10-21(17-20)36-6)27(33)31(25)38(34,35)23-14-11-19(12-15-23)26(32)30-28(2,3)4/h8-18H,7H2,1-6H3,(H,30,32)
InChIKeyPNHCAQBHCVNUPV-UHFFFAOYSA-N
MW536.65 g/mol
LogP4.66
Rot. Bonds7

About N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide

N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide (PubChem CID 68559773) has the molecular formula C29H32N2O6S and a molecular weight of 536.65 g/mol. Its IUPAC name is N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide
PubChem CID68559773
Molecular FormulaC29H32N2O6S
Molecular Weight536.65 g/mol
Exact Mass536.20
IUPAC NameN-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide
SMILESCCOc1ccc2c(c1)C(C)(c1cccc(OC)c1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C29H32N2O6S/c1-7-37-22-13-16-25-24(18-22)29(5,20-9-8-10-21(17-20)36-6)27(33)31(25)38(34,35)23-14-11-19(12-15-23)26(32)30-28(2,3)4/h8-18H,7H2,1-6H3,(H,30,32)
InChIKeyPNHCAQBHCVNUPV-UHFFFAOYSA-N
XLogP4.66
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.65
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[4-(tert-butylcarbamoyl)phenyl]sulfonyl-5-ethoxy-3-methyl-2-oxoindol-3-yl]-4-chloro-N-[2-(diethylamino)ethyl]benzamide
CID 24986504
4-[3-(5-amino-2-chlorophenyl)-5-ethoxy-3-methyl-2-oxoindol-1-yl]sulfonyl-N-tert-butyl-3-methoxybenzamide
CID 68557814
4-[3-[5-(2-aminoethylcarbamoyl)-2-chlorophenyl]-5-ethoxy-3-methyl-2-oxoindol-1-yl]sulfonyl-N-tert-butyl-3-methoxybenzamide
CID 68558493
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 67196152
N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 17199750
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]pyrimidine-5-carboxamide
CID 146665893
N-tert-butyl-4-[[2-(3-ethoxyanilino)acetyl]amino]benzamide
CID 54826253
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
4-butoxy-N-tert-butylbenzamide
CID 60643031
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide?
The IUPAC name of N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide (CID 68559773) is N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide?
The canonical SMILES for N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide is CCOc1ccc2c(c1)C(C)(c1cccc(OC)c1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide?
The InChIKey is PNHCAQBHCVNUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O6S/c1-7-37-22-13-16-25-24(18-22)29(5,20-9-8-10-21(17-20)36-6)27(33)31(25)38(34,35)23-14-11-19(12-15-23)26(32)30-28(2,3)4/h8-18H,7H2,1-6H3,(H,30,32).
What are the key properties of N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide?
N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide has a molecular weight of 536.65 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-ethoxy-3-(3-methoxyphenyl)-3-methyl-2-oxoindol-1-yl]sulfonylbenzamide is sourced from PubChem (CID 68559773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).