4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide

C23H22ClN3O5S — CID 40975726

IUPAC4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H22ClN3O5S/c1-15(16-5-3-2-4-6-16)27-33(30,31)19-11-12-21(20(24)13-19)32-14-22(28)26-18-9-7-17(8-10-18)23(25)29/h2-13,15,27H,14H2,1H3,(H2,25,29)(H,26,28)/t15-/m1/s1
InChIKeyBMMGHWJSTUAGRD-OAHLLOKOSA-N
MW487.97 g/mol
LogP3.50
Rot. Bonds9

About 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide

4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide (PubChem CID 40975726) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
PubChem CID40975726
Molecular FormulaC23H22ClN3O5S
Molecular Weight487.97 g/mol
Exact Mass487.10
IUPAC Name4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H22ClN3O5S/c1-15(16-5-3-2-4-6-16)27-33(30,31)19-11-12-21(20(24)13-19)32-14-22(28)26-18-9-7-17(8-10-18)23(25)29/h2-13,15,27H,14H2,1H3,(H2,25,29)(H,26,28)/t15-/m1/s1
InChIKeyBMMGHWJSTUAGRD-OAHLLOKOSA-N
XLogP3.50
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide with MolForge

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Related Compounds

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1264182
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide (CID 40975726) is 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide is C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide?
The InChIKey is BMMGHWJSTUAGRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-15(16-5-3-2-4-6-16)27-33(30,31)19-11-12-21(20(24)13-19)32-14-22(28)26-18-9-7-17(8-10-18)23(25)29/h2-13,15,27H,14H2,1H3,(H2,25,29)(H,26,28)/t15-/m1/s1.
What are the key properties of 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide?
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide has a molecular weight of 487.97 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 40975726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).