3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide

C24H25N3O5S — CID 27569057

IUPAC3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)COc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-16-8-11-20(12-9-16)27-33(30,31)21-6-4-5-19(14-21)24(29)26-25-23(28)15-32-22-13-17(2)7-10-18(22)3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAHGSDFWFOBOPKM-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.25
Rot. Bonds7

About 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide

3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 27569057) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID27569057
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)COc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-16-8-11-20(12-9-16)27-33(30,31)21-6-4-5-19(14-21)24(29)26-25-23(28)15-32-22-13-17(2)7-10-18(22)3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAHGSDFWFOBOPKM-UHFFFAOYSA-N
XLogP3.25
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 55566297
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 25485174
N-(2-chlorophenyl)-4-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 27569068
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8614158
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55350821
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide (CID 27569057) is 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)COc3cc(C)ccc3C)c2)cc1.
What is the InChIKey of 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is AHGSDFWFOBOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-16-8-11-20(12-9-16)27-33(30,31)21-6-4-5-19(14-21)24(29)26-25-23(28)15-32-22-13-17(2)7-10-18(22)3/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide?
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 467.55 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 27569057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).