N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide

C24H24Cl2N2O4S — CID 43907240

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-4-22(32-18-11-8-15(2)16(3)14-18)24(29)27-17-9-12-19(13-10-17)33(30,31)28-21-7-5-6-20(25)23(21)26/h5-14,22,28H,4H2,1-3H3,(H,27,29)
InChIKeyCDYGOOBZWPPYMF-UHFFFAOYSA-N
MW507.44 g/mol
LogP6.21
Rot. Bonds8

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 43907240) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
PubChem CID43907240
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-4-22(32-18-11-8-15(2)16(3)14-18)24(29)27-17-9-12-19(13-10-17)33(30,31)28-21-7-5-6-20(25)23(21)26/h5-14,22,28H,4H2,1-3H3,(H,27,29)
InChIKeyCDYGOOBZWPPYMF-UHFFFAOYSA-N
XLogP6.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 43907526
(2S)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 28577445
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
2-(3-chlorophenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43908669
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428
(2S)-2-(3-chlorophenoxy)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]propanamide
CID 94016242
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 94864467
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide (CID 43907240) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is CDYGOOBZWPPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-4-22(32-18-11-8-15(2)16(3)14-18)24(29)27-17-9-12-19(13-10-17)33(30,31)28-21-7-5-6-20(25)23(21)26/h5-14,22,28H,4H2,1-3H3,(H,27,29).
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 507.44 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 43907240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).