N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C18H21N3O4S — CID 5307870

IUPACN-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)Cc1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-20(13-14-6-4-3-5-7-14)11-10-19-26(23,24)15-8-9-16-17(12-15)25-18(22)21(16)2/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyLQZSILFEHXPAJD-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.54
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 5307870) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID5307870
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)Cc1ccccc1
InChIInChI=1S/C18H21N3O4S/c1-20(13-14-6-4-3-5-7-14)11-10-19-26(23,24)15-8-9-16-17(12-15)25-18(22)21(16)2/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyLQZSILFEHXPAJD-UHFFFAOYSA-N
XLogP1.54
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide 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-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 50919367
3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 9551425
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 5307870) is N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is LQZSILFEHXPAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-20(13-14-6-4-3-5-7-14)11-10-19-26(23,24)15-8-9-16-17(12-15)25-18(22)21(16)2/h3-9,12,19H,10-11,13H2,1-2H3.
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 5307870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).