tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate

C23H31N3O7S — CID 26259494

IUPACtert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC(=O)OC(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C23H31N3O7S/c1-6-32-18-10-7-16(8-11-18)26-34(29,30)20-15-17(9-12-19(20)31-5)25-21(27)13-14-24-22(28)33-23(2,3)4/h7-12,15,26H,6,13-14H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyDEVQLPPTHKKTIB-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.75
Rot. Bonds10

About tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate

tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate (PubChem CID 26259494) has the molecular formula C23H31N3O7S and a molecular weight of 493.58 g/mol. Its IUPAC name is tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
PubChem CID26259494
Molecular FormulaC23H31N3O7S
Molecular Weight493.58 g/mol
Exact Mass493.19
IUPAC Nametert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC(=O)OC(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C23H31N3O7S/c1-6-32-18-10-7-16(8-11-18)26-34(29,30)20-15-17(9-12-19(20)31-5)25-21(27)13-14-24-22(28)33-23(2,3)4/h7-12,15,26H,6,13-14H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyDEVQLPPTHKKTIB-UHFFFAOYSA-N
XLogP3.75
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]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

4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 3484295
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
tert-butyl N-[3-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]carbamate
CID 31361726
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
tert-butyl N-[4-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-4-oxobutyl]carbamate
CID 9470236
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 35745392
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
4-(2,5-dimethylphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4968937
N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26852039

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate (CID 26259494) is tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC(=O)OC(C)(C)C)ccc2OC)cc1.
What is the InChIKey of tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate?
The InChIKey is DEVQLPPTHKKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7S/c1-6-32-18-10-7-16(8-11-18)26-34(29,30)20-15-17(9-12-19(20)31-5)25-21(27)13-14-24-22(28)33-23(2,3)4/h7-12,15,26H,6,13-14H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate has a molecular weight of 493.58 g/mol, XLogP of 3.75, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate is sourced from PubChem (CID 26259494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).