N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C24H25ClN2O4S — CID 1006992

IUPACN-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-17(2)27-32(29,30)21-12-8-18(9-13-21)10-15-24(28)26-22-16-19(25)11-14-23(22)31-20-6-4-3-5-7-20/h3-9,11-14,16-17,27H,10,15H2,1-2H3,(H,26,28)
InChIKeyUBWTUZVTAVCXJW-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.39
Rot. Bonds9

About N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 1006992) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID1006992
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-17(2)27-32(29,30)21-12-8-18(9-13-21)10-15-24(28)26-22-16-19(25)11-14-23(22)31-20-6-4-3-5-7-20/h3-9,11-14,16-17,27H,10,15H2,1-2H3,(H,26,28)
InChIKeyUBWTUZVTAVCXJW-UHFFFAOYSA-N
XLogP5.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
N-(2-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 3661392
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251916
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide
CID 126395833
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
N-(5-chloro-2-phenoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870836

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 1006992) is N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is UBWTUZVTAVCXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-17(2)27-32(29,30)21-12-8-18(9-13-21)10-15-24(28)26-22-16-19(25)11-14-23(22)31-20-6-4-3-5-7-20/h3-9,11-14,16-17,27H,10,15H2,1-2H3,(H,26,28).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 472.99 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1006992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).