N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

C23H26N2O4S — CID 55819128

IUPACN-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C)o3)C(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16(2)25(15-21-12-7-18(4)29-21)23(26)19-8-13-22(14-9-19)30(27,28)24-20-10-5-17(3)6-11-20/h5-14,16,24H,15H2,1-4H3
InChIKeyPOEFGXBQEZSJEE-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.75
Rot. Bonds7

About N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 55819128) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID55819128
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C)o3)C(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16(2)25(15-21-12-7-18(4)29-21)23(26)19-8-13-22(14-9-19)30(27,28)24-20-10-5-17(3)6-11-20/h5-14,16,24H,15H2,1-4H3
InChIKeyPOEFGXBQEZSJEE-UHFFFAOYSA-N
XLogP4.75
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide 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-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 51124455
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27839495
3-[(4-bromophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 17479896
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 55819128) is N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C)o3)C(C)C)cc2)cc1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is POEFGXBQEZSJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16(2)25(15-21-12-7-18(4)29-21)23(26)19-8-13-22(14-9-19)30(27,28)24-20-10-5-17(3)6-11-20/h5-14,16,24H,15H2,1-4H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 426.54 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55819128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).