methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate

C17H19ClN2O5S — CID 99876233

IUPACmethyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O5S/c1-24-16(14-5-3-4-6-15(14)18)11-19-26(22,23)13-9-7-12(8-10-13)20-17(21)25-2/h3-10,16,19H,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyBDTUJNXWCQZDQL-INIZCTEOSA-N
MW398.87 g/mol
LogP3.18
Rot. Bonds7

About methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate

methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate (PubChem CID 99876233) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
PubChem CID99876233
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC Namemethyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O5S/c1-24-16(14-5-3-4-6-15(14)18)11-19-26(22,23)13-9-7-12(8-10-13)20-17(21)25-2/h3-10,16,19H,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyBDTUJNXWCQZDQL-INIZCTEOSA-N
XLogP3.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]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

N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
CID 90623875
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 90623967
(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide
CID 97306334
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 90623823

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate (CID 99876233) is methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccccc2Cl)cc1.
What is the InChIKey of methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate?
The InChIKey is BDTUJNXWCQZDQL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-24-16(14-5-3-4-6-15(14)18)11-19-26(22,23)13-9-7-12(8-10-13)20-17(21)25-2/h3-10,16,19H,11H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate?
methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate has a molecular weight of 398.87 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 99876233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).