[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate

C20H22ClN3O7S — CID 40943134

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)ccc2Cl)cc1
InChIInChI=1S/C20H22ClN3O7S/c1-11(2)17(18(25)23-20(22)27)31-19(26)12-4-9-15(21)16(10-12)32(28,29)24-13-5-7-14(30-3)8-6-13/h4-11,17,24H,1-3H3,(H3,22,23,25,27)/t17-/m1/s1
InChIKeyXYKBTNBOMKRNIM-QGZVFWFLSA-N
MW483.93 g/mol
LogP2.53
Rot. Bonds8

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 40943134) has the molecular formula C20H22ClN3O7S and a molecular weight of 483.93 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID40943134
Molecular FormulaC20H22ClN3O7S
Molecular Weight483.93 g/mol
Exact Mass483.09
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)ccc2Cl)cc1
InChIInChI=1S/C20H22ClN3O7S/c1-11(2)17(18(25)23-20(22)27)31-19(26)12-4-9-15(21)16(10-12)32(28,29)24-13-5-7-14(30-3)8-6-13/h4-11,17,24H,1-3H3,(H3,22,23,25,27)/t17-/m1/s1
InChIKeyXYKBTNBOMKRNIM-QGZVFWFLSA-N
XLogP2.53
TPSA153.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate 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-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25331358
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
CID 7727195
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 2638592
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 9068373
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate
CID 2481604
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate (CID 40943134) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)ccc2Cl)cc1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is XYKBTNBOMKRNIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClN3O7S/c1-11(2)17(18(25)23-20(22)27)31-19(26)12-4-9-15(21)16(10-12)32(28,29)24-13-5-7-14(30-3)8-6-13/h4-11,17,24H,1-3H3,(H3,22,23,25,27)/t17-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 483.93 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 40943134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).