N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C19H20N2O3S — CID 101360292

IUPACN-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ncc(C)o2)cc1
InChIInChI=1S/C19H20N2O3S/c1-15-8-10-18(11-9-15)25(22,23)21(13-17-6-4-3-5-7-17)14-19-20-12-16(2)24-19/h3-12H,13-14H2,1-2H3
InChIKeyYHJYHRTXMBSRFH-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.68
Rot. Bonds6

About N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 101360292) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID101360292
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ncc(C)o2)cc1
InChIInChI=1S/C19H20N2O3S/c1-15-8-10-18(11-9-15)25(22,23)21(13-17-6-4-3-5-7-17)14-19-20-12-16(2)24-19/h3-12H,13-14H2,1-2H3
InChIKeyYHJYHRTXMBSRFH-UHFFFAOYSA-N
XLogP3.68
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide 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

3-(benzenesulfonylmethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 75427324
(1S)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97610056
N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 132322008
5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
CID 24873374
2-[(2S)-1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole
CID 69541736
2-[1-[4-(Difluoromethyl)phenyl]sulfonylpiperidin-2-yl]-5-methyl-1,3-oxazole
CID 69541739
5-Ethyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
CID 69541744
5-methyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
CID 69541761
5-methyl-2-[(2R)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
CID 69541796
5-Methyl-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
CID 69541802
5-tert-butyl-2-[(2S)-1-[4-(difluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
CID 69541861
5-tert-butyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
CID 69541909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 101360292) is N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ncc(C)o2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is YHJYHRTXMBSRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-15-8-10-18(11-9-15)25(22,23)21(13-17-6-4-3-5-7-17)14-19-20-12-16(2)24-19/h3-12H,13-14H2,1-2H3.
What are the key properties of N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 101360292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).