methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate

C18H21N3O5S — CID 55846819

IUPACmethyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(=O)OC)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-3-20-27(24,25)16-10-6-14(7-11-16)17(22)19-12-13-4-8-15(9-5-13)21-18(23)26-2/h4-11,20H,3,12H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyPNGXSYFUXNIKKH-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.09
Rot. Bonds7

About methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate (PubChem CID 55846819) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
PubChem CID55846819
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Namemethyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(=O)OC)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-3-20-27(24,25)16-10-6-14(7-11-16)17(22)19-12-13-4-8-15(9-5-13)21-18(23)26-2/h4-11,20H,3,12H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyPNGXSYFUXNIKKH-UHFFFAOYSA-N
XLogP2.09
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]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

methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 56548905
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775887

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate (CID 55846819) is methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate is CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(=O)OC)cc2)cc1.
What is the InChIKey of methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate?
The InChIKey is PNGXSYFUXNIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-3-20-27(24,25)16-10-6-14(7-11-16)17(22)19-12-13-4-8-15(9-5-13)21-18(23)26-2/h4-11,20H,3,12H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate has a molecular weight of 391.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55846819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).