4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide

C25H27N3O6S — CID 24553526

IUPAC4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-4-15-34-22-14-11-19(16-23(22)33-3)25(30)27-26-24(29)18-9-12-20(13-10-18)35(31,32)28-21-8-6-5-7-17(21)2/h5-14,16,28H,4,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeySBDHFUNRKFLDHT-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.67
Rot. Bonds9

About 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide

4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 24553526) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide
PubChem CID24553526
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-4-15-34-22-14-11-19(16-23(22)33-3)25(30)27-26-24(29)18-9-12-20(13-10-18)35(31,32)28-21-8-6-5-7-17(21)2/h5-14,16,28H,4,15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeySBDHFUNRKFLDHT-UHFFFAOYSA-N
XLogP3.67
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide (CID 24553526) is 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide is CCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1OC.
What is the InChIKey of 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is SBDHFUNRKFLDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-4-15-34-22-14-11-19(16-23(22)33-3)25(30)27-26-24(29)18-9-12-20(13-10-18)35(31,32)28-21-8-6-5-7-17(21)2/h5-14,16,28H,4,15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide?
4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 497.57 g/mol, XLogP of 3.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 24553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).