2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide

C24H25ClN2O4S — CID 124550737

IUPAC2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-17(19-9-5-3-6-10-19)26-24(28)16-31-23-14-13-21(15-22(23)25)32(29,30)27-18(2)20-11-7-4-8-12-20/h3-15,17-18,27H,16H2,1-2H3,(H,26,28)/t17-,18+/m1/s1
InChIKeyQAXHEWFINFGYBP-MSOLQXFVSA-N
MW472.99 g/mol
LogP4.64
Rot. Bonds9

About 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide

2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 124550737) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID124550737
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@H](NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-17(19-9-5-3-6-10-19)26-24(28)16-31-23-14-13-21(15-22(23)25)32(29,30)27-18(2)20-11-7-4-8-12-20/h3-15,17-18,27H,16H2,1-2H3,(H,26,28)/t17-,18+/m1/s1
InChIKeyQAXHEWFINFGYBP-MSOLQXFVSA-N
XLogP4.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126274272
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 2981487
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126383679
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
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 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide (CID 124550737) is 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide is C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is QAXHEWFINFGYBP-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-17(19-9-5-3-6-10-19)26-24(28)16-31-23-14-13-21(15-22(23)25)32(29,30)27-18(2)20-11-7-4-8-12-20/h3-15,17-18,27H,16H2,1-2H3,(H,26,28)/t17-,18+/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide?
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 472.99 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 124550737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).