N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide

C21H28N2O3S — CID 53287371

IUPACN-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cc(C)cc(N(Cc2ccc(C(=O)NC(C)(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O3S/c1-15-11-16(2)13-19(12-15)23(27(6,25)26)14-17-7-9-18(10-8-17)20(24)22-21(3,4)5/h7-13H,14H2,1-6H3,(H,22,24)
InChIKeyUKICVZPUYIKRQI-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.80
Rot. Bonds5

About N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide

N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide (PubChem CID 53287371) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
PubChem CID53287371
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
SMILESCc1cc(C)cc(N(Cc2ccc(C(=O)NC(C)(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O3S/c1-15-11-16(2)13-19(12-15)23(27(6,25)26)14-17-7-9-18(10-8-17)20(24)22-21(3,4)5/h7-13H,14H2,1-6H3,(H,22,24)
InChIKeyUKICVZPUYIKRQI-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)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-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
N-cyclopropyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287051
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
N-tert-butyl-2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132945049
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191713
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126032247
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 125077384
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126031320

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide (CID 53287371) is N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide is Cc1cc(C)cc(N(Cc2ccc(C(=O)NC(C)(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is UKICVZPUYIKRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15-11-16(2)13-19(12-15)23(27(6,25)26)14-17-7-9-18(10-8-17)20(24)22-21(3,4)5/h7-13H,14H2,1-6H3,(H,22,24).
What are the key properties of N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide?
N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 53287371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).