N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide

C26H30N2O4S — CID 43910232

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C26H30N2O4S/c1-16-13-19(4)20(5)25(14-16)32-21(6)26(29)27-22-9-11-24(12-10-22)33(30,31)28-23-8-7-17(2)18(3)15-23/h7-15,21,28H,1-6H3,(H,27,29)
InChIKeyAIAGIBPJBSJNBP-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.44
Rot. Bonds7

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 43910232) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID43910232
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C26H30N2O4S/c1-16-13-19(4)20(5)25(14-16)32-21(6)26(29)27-22-9-11-24(12-10-22)33(30,31)28-23-8-7-17(2)18(3)15-23/h7-15,21,28H,1-6H3,(H,27,29)
InChIKeyAIAGIBPJBSJNBP-UHFFFAOYSA-N
XLogP5.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide with MolForge

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Related Compounds

(2S)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 38018180
(2R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397776
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717
(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024
(2R)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28566914
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30387596
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94028048
(2S)-N-(4-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019096
(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 94016579
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 17108697
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 43910232) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is AIAGIBPJBSJNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-16-13-19(4)20(5)25(14-16)32-21(6)26(29)27-22-9-11-24(12-10-22)33(30,31)28-23-8-7-17(2)18(3)15-23/h7-15,21,28H,1-6H3,(H,27,29).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 466.60 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 43910232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).