tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate

C24H33N3O5S — CID 55647421

IUPACtert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C24H33N3O5S/c1-7-27(8-2)33(30,31)21-14-10-12-19(16-21)22(28)25-20-13-9-11-18(15-20)17-26(6)23(29)32-24(3,4)5/h9-16H,7-8,17H2,1-6H3,(H,25,28)
InChIKeySNGNMQKHOIAYHT-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.34
Rot. Bonds8

About tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate (PubChem CID 55647421) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
PubChem CID55647421
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Nametert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C24H33N3O5S/c1-7-27(8-2)33(30,31)21-14-10-12-19(16-21)22(28)25-20-13-9-11-18(15-20)17-26(6)23(29)32-24(3,4)5/h9-16H,7-8,17H2,1-6H3,(H,25,28)
InChIKeySNGNMQKHOIAYHT-UHFFFAOYSA-N
XLogP4.34
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate
CID 55851321
tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-[[3-(1,3-benzodioxole-5-carbonylamino)phenyl]methyl]-N-methylcarbamate
CID 55647227
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
tert-butyl N-methyl-N-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]carbamate
CID 55647075
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594167
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
3-(diethylsulfamoyl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 33022275

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate (CID 55647421) is tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate?
The InChIKey is SNGNMQKHOIAYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-7-27(8-2)33(30,31)21-14-10-12-19(16-21)22(28)25-20-13-9-11-18(15-20)17-26(6)23(29)32-24(3,4)5/h9-16H,7-8,17H2,1-6H3,(H,25,28).
What are the key properties of tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate has a molecular weight of 475.61 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 55647421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).