N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide

C24H26N2O4S — CID 55705690

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-4-16-30-21-14-11-19(12-15-21)24(27)25-20-13-10-18(2)23(17-20)26-31(28,29)22-8-6-5-7-9-22/h5-15,17,26H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyMLFZBLUIMIQZQW-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.23
Rot. Bonds9

About N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide (PubChem CID 55705690) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
PubChem CID55705690
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-3-4-16-30-21-14-11-19(12-15-21)24(27)25-20-13-10-18(2)23(17-20)26-31(28,29)22-8-6-5-7-9-22/h5-15,17,26H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyMLFZBLUIMIQZQW-UHFFFAOYSA-N
XLogP5.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55705614
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705667
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide (CID 55705690) is N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide?
The InChIKey is MLFZBLUIMIQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-4-16-30-21-14-11-19(12-15-21)24(27)25-20-13-10-18(2)23(17-20)26-31(28,29)22-8-6-5-7-9-22/h5-15,17,26H,3-4,16H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide has a molecular weight of 438.55 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide is sourced from PubChem (CID 55705690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).