2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide

C24H25ClN2O4S — CID 43908669

IUPAC2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-22(31-20-10-6-9-18(25)15-20)24(28)26-19-11-13-21(14-12-19)32(29,30)27-23-16(2)7-5-8-17(23)3/h5-15,22,27H,4H2,1-3H3,(H,26,28)
InChIKeyUMBKRXVGCAUSLU-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.55
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide

2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 43908669) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
PubChem CID43908669
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-4-22(31-20-10-6-9-18(25)15-20)24(28)26-19-11-13-21(14-12-19)32(29,30)27-23-16(2)7-5-8-17(23)3/h5-15,22,27H,4H2,1-3H3,(H,26,28)
InChIKeyUMBKRXVGCAUSLU-UHFFFAOYSA-N
XLogP5.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301
(2S)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005943
(2R)-2-(3-chlorophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677148
2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43916258
(2R)-2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 38005936
(2S)-2-(3-chlorophenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 93486859
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 94015658
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide (CID 43908669) is 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is UMBKRXVGCAUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-4-22(31-20-10-6-9-18(25)15-20)24(28)26-19-11-13-21(14-12-19)32(29,30)27-23-16(2)7-5-8-17(23)3/h5-15,22,27H,4H2,1-3H3,(H,26,28).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide?
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 472.99 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 43908669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).