2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide

C25H28N2O5S — CID 46101931

IUPAC2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-4-17-32-21-13-15-22(16-14-21)33(29,30)27-24-8-6-5-7-23(24)25(28)26-18-19-9-11-20(31-2)12-10-19/h5-16,27H,3-4,17-18H2,1-2H3,(H,26,28)
InChIKeyYWTBDSQKXCGZQQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.60
Rot. Bonds11

About 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide

2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 46101931) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID46101931
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-4-17-32-21-13-15-22(16-14-21)33(29,30)27-24-8-6-5-7-23(24)25(28)26-18-19-9-11-20(31-2)12-10-19/h5-16,27H,3-4,17-18H2,1-2H3,(H,26,28)
InChIKeyYWTBDSQKXCGZQQ-UHFFFAOYSA-N
XLogP4.60
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 4060518
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-[(4-cyanophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46546770
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
4-dodecoxy-N-(2-hydroxyphenyl)benzenesulfonamide
CID 22486758
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide (CID 46101931) is 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide is CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is YWTBDSQKXCGZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-3-4-17-32-21-13-15-22(16-14-21)33(29,30)27-24-8-6-5-7-23(24)25(28)26-18-19-9-11-20(31-2)12-10-19/h5-16,27H,3-4,17-18H2,1-2H3,(H,26,28).
What are the key properties of 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide?
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46101931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).