N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide

C15H23NO3S — CID 42951899

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
SMILESCC(N(C)C(=O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-11(15(2,3)4)16(5)14(17)12-7-9-13(10-8-12)20(6,18)19/h7-11H,1-6H3
InChIKeyIMNRQSFSBVBLRF-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.60
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide

N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide (PubChem CID 42951899) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
PubChem CID42951899
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
SMILESCC(N(C)C(=O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-11(15(2,3)4)16(5)14(17)12-7-9-13(10-8-12)20(6,18)19/h7-11H,1-6H3
InChIKeyIMNRQSFSBVBLRF-UHFFFAOYSA-N
XLogP2.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide 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-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
CID 134058555
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
CID 104938816
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
2-[tert-butyl-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 79262249

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide (CID 42951899) is N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide is CC(N(C)C(=O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide?
The InChIKey is IMNRQSFSBVBLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(15(2,3)4)16(5)14(17)12-7-9-13(10-8-12)20(6,18)19/h7-11H,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide?
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide has a molecular weight of 297.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 42951899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).