4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide

C23H23ClN2O4S — CID 30390620

IUPAC4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-30-20-12-9-17(10-13-20)16(2)25-23(27)18-11-14-21(24)22(15-18)31(28,29)26-19-7-5-4-6-8-19/h4-16,26H,3H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyRXRNWFUAGVJYPP-MRXNPFEDSA-N
MW458.97 g/mol
LogP5.03
Rot. Bonds8

About 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide

4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 30390620) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
PubChem CID30390620
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-30-20-12-9-17(10-13-20)16(2)25-23(27)18-11-14-21(24)22(15-18)31(28,29)26-19-7-5-4-6-8-19/h4-16,26H,3H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyRXRNWFUAGVJYPP-MRXNPFEDSA-N
XLogP5.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide 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-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92684677
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide (CID 30390620) is 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide is CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is RXRNWFUAGVJYPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-3-30-20-12-9-17(10-13-20)16(2)25-23(27)18-11-14-21(24)22(15-18)31(28,29)26-19-7-5-4-6-8-19/h4-16,26H,3H2,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide?
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 458.97 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 30390620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).