4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C26H30N2O4S — CID 38017941

IUPAC4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C26H30N2O4S/c1-19(2)32-25-14-10-21(11-15-25)17-27-26(29)23-12-8-22(9-13-23)18-28(33(4,30)31)24-7-5-6-20(3)16-24/h5-16,19H,17-18H2,1-4H3,(H,27,29)
InChIKeyQZAHTJZRCVONCD-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.68
Rot. Bonds9

About 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 38017941) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID38017941
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1cccc(N(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C26H30N2O4S/c1-19(2)32-25-14-10-21(11-15-25)17-27-26(29)23-12-8-22(9-13-23)18-28(33(4,30)31)24-7-5-6-20(3)16-24/h5-16,19H,17-18H2,1-4H3,(H,27,29)
InChIKeyQZAHTJZRCVONCD-UHFFFAOYSA-N
XLogP4.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)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-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
N-[2-(3-methoxyphenoxy)ethyl]-4-[(N-methylsulfonyl-3-propan-2-yloxyanilino)methyl]benzamide
CID 100503035
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
4-[(N-methylsulfonyl-4-propan-2-yloxyanilino)methyl]-N-(2-phenoxyethyl)benzamide
CID 100502166
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 125077384
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53280554
N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 30392525
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 53283141
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 133186484
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 38017941) is 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is Cc1cccc(N(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is QZAHTJZRCVONCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19(2)32-25-14-10-21(11-15-25)17-27-26(29)23-12-8-22(9-13-23)18-28(33(4,30)31)24-7-5-6-20(3)16-24/h5-16,19H,17-18H2,1-4H3,(H,27,29).
What are the key properties of 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 466.60 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 38017941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).