4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide

C24H26N2O4S — CID 60517147

IUPAC4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2O4S/c1-2-3-16-30-22-9-7-8-19(17-22)18-25-24(27)20-12-14-21(15-13-20)26-31(28,29)23-10-5-4-6-11-23/h4-15,17,26H,2-3,16,18H2,1H3,(H,25,27)
InChIKeyGSBBQVTWHZXNPK-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.60
Rot. Bonds10

About 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide

4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide (PubChem CID 60517147) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
PubChem CID60517147
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2O4S/c1-2-3-16-30-22-9-7-8-19(17-22)18-25-24(27)20-12-14-21(15-13-20)26-31(28,29)23-10-5-4-6-11-23/h4-15,17,26H,2-3,16,18H2,1H3,(H,25,27)
InChIKeyGSBBQVTWHZXNPK-UHFFFAOYSA-N
XLogP4.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.60
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

4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843
N-[(3-butoxyphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55749632
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
4-(benzenesulfonamido)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55947241
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
CID 46386301

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide (CID 60517147) is 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide is CCCCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide?
The InChIKey is GSBBQVTWHZXNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-2-3-16-30-22-9-7-8-19(17-22)18-25-24(27)20-12-14-21(15-13-20)26-31(28,29)23-10-5-4-6-11-23/h4-15,17,26H,2-3,16,18H2,1H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide?
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide is sourced from PubChem (CID 60517147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).