tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate

C24H33N3O5S — CID 55851321

IUPACtert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C24H33N3O5S/c1-17(2)27(7)33(30,31)21-13-11-19(12-14-21)22(28)25-20-10-8-9-18(15-20)16-26(6)23(29)32-24(3,4)5/h8-15,17H,16H2,1-7H3,(H,25,28)
InChIKeyKDQCWSAVLKSQNU-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.33
Rot. Bonds7

About tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate

tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate (PubChem CID 55851321) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate
PubChem CID55851321
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Nametert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C24H33N3O5S/c1-17(2)27(7)33(30,31)21-13-11-19(12-14-21)22(28)25-20-10-8-9-18(15-20)16-26(6)23(29)32-24(3,4)5/h8-15,17H,16H2,1-7H3,(H,25,28)
InChIKeyKDQCWSAVLKSQNU-UHFFFAOYSA-N
XLogP4.33
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647421
tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
tert-butyl N-[[3-[2-[(4-bromobenzoyl)amino]propanoylamino]phenyl]methyl]-N-methylcarbamate
CID 42959152
tert-butyl N-[[3-(1,3-benzodioxole-5-carbonylamino)phenyl]methyl]-N-methylcarbamate
CID 55647227
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
tert-butyl N-methyl-N-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]carbamate
CID 55647075
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
tert-butyl N-methyl-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]carbamate
CID 55849666
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
tert-butyl N-[[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55850427
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate (CID 55851321) is tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate?
The InChIKey is KDQCWSAVLKSQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-17(2)27(7)33(30,31)21-13-11-19(12-14-21)22(28)25-20-10-8-9-18(15-20)16-26(6)23(29)32-24(3,4)5/h8-15,17H,16H2,1-7H3,(H,25,28).
What are the key properties of tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate?
tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate has a molecular weight of 475.61 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 55851321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).