N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide

C18H20N2O3S — CID 110791137

IUPACN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1nc2ccc(CCNS(=O)(=O)Cc3ccccc3C)cc2o1
InChIInChI=1S/C18H20N2O3S/c1-13-5-3-4-6-16(13)12-24(21,22)19-10-9-15-7-8-17-18(11-15)23-14(2)20-17/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyXECXWYSTIZUSLL-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110791137) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110791137
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1nc2ccc(CCNS(=O)(=O)Cc3ccccc3C)cc2o1
InChIInChI=1S/C18H20N2O3S/c1-13-5-3-4-6-16(13)12-24(21,22)19-10-9-15-7-8-17-18(11-15)23-14(2)20-17/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyXECXWYSTIZUSLL-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide 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

2-cyano-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791145
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
3-[2-[(2-methylphenyl)methylsulfonylamino]ethyl]benzoic acid
CID 166224462
1-(2-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791248
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
2-[2-(2-methyl-1,3-benzoxazol-6-yl)ethylamino]ethanethiol
CID 115224265
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(2-methylphenyl)methanesulfonamide
CID 110314204
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110791137) is N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1nc2ccc(CCNS(=O)(=O)Cc3ccccc3C)cc2o1.
What is the InChIKey of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is XECXWYSTIZUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-5-3-4-6-16(13)12-24(21,22)19-10-9-15-7-8-17-18(11-15)23-14(2)20-17/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110791137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).