tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate

C24H33N3O6S — CID 55654948

IUPACtert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C24H33N3O6S/c1-8-27(9-2)34(30,31)18-12-10-16(3)19(15-18)22(28)25-17-11-13-21(32-7)20(14-17)26-23(29)33-24(4,5)6/h10-15H,8-9H2,1-7H3,(H,25,28)(H,26,29)
InChIKeyMUWLDMRZLRUZLC-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.63
Rot. Bonds8

About tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate

tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate (PubChem CID 55654948) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate
PubChem CID55654948
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Nametert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C24H33N3O6S/c1-8-27(9-2)34(30,31)18-12-10-16(3)19(15-18)22(28)25-17-11-13-21(32-7)20(14-17)26-23(29)33-24(4,5)6/h10-15H,8-9H2,1-7H3,(H,25,28)(H,26,29)
InChIKeyMUWLDMRZLRUZLC-UHFFFAOYSA-N
XLogP4.63
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
N-(5-acetamido-2-methoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 42112029
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate (CID 55654948) is tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate?
The InChIKey is MUWLDMRZLRUZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-8-27(9-2)34(30,31)18-12-10-16(3)19(15-18)22(28)25-17-11-13-21(32-7)20(14-17)26-23(29)33-24(4,5)6/h10-15H,8-9H2,1-7H3,(H,25,28)(H,26,29).
What are the key properties of tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate?
tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate has a molecular weight of 491.61 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 55654948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).