N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide

C26H32N2O3S — CID 2929657

IUPACN-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C26H32N2O3S/c1-17-10-22(26-14-18-11-19(15-26)13-20(12-18)16-26)6-9-24(17)27-25(29)21-4-7-23(8-5-21)32(30,31)28(2)3/h4-10,18-20H,11-16H2,1-3H3,(H,27,29)
InChIKeyAKYZYOWXUIITSW-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.97
Rot. Bonds5

About N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide

N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2929657) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2929657
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC NameN-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C26H32N2O3S/c1-17-10-22(26-14-18-11-19(15-26)13-20(12-18)16-26)6-9-24(17)27-25(29)21-4-7-23(8-5-21)32(30,31)28(2)3/h4-10,18-20H,11-16H2,1-3H3,(H,27,29)
InChIKeyAKYZYOWXUIITSW-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)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-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
Lgd-6972
CID 44625560
N-({[4-(adamantan-1-yl)phenyl]carbamoyl}amino)-4-sulfamoylbenzamide
CID 11317320
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
4-(Pyrrolidine-1-sulfonyl)-N-o-tolyl-benzamide
CID 3147990
3-[(E)-2-Fluoro-1-methyl-2-(2''-sulfamoyl-biphenyl-4-ylcarbamoyl)-vinyl]-benzamide
CID 22458374
N-[5-(Aminosulfonyl)-2-methylphenyl]-alpha-phenylbenzeneacetamide
CID 2921321
4-(dimethylsulfamoyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 652521
N-phenyl-4-piperidin-1-ylsulfonylbenzamide
CID 765575
N-(2,4-dimethylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006706
N-(4-{[(2,4-dimethylphenyl)amino]sulfonyl}phenyl)-4-biphenylcarboxamide
CID 1012890

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide (CID 2929657) is N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide is Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is AKYZYOWXUIITSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-17-10-22(26-14-18-11-19(15-26)13-20(12-18)16-26)6-9-24(17)27-25(29)21-4-7-23(8-5-21)32(30,31)28(2)3/h4-10,18-20H,11-16H2,1-3H3,(H,27,29).
What are the key properties of N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide?
N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 452.62 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2929657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).