N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

C19H21N3O5S — CID 3237896

IUPACN-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C19H21N3O5S/c1-21(13-14-6-4-3-5-7-14)18(23)10-11-20-28(25,26)15-8-9-16-17(12-15)27-19(24)22(16)2/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyZKQGVJKOUURQDG-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.46
Rot. Bonds7

About N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide

N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (PubChem CID 3237896) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
PubChem CID3237896
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C19H21N3O5S/c1-21(13-14-6-4-3-5-7-14)18(23)10-11-20-28(25,26)15-8-9-16-17(12-15)27-19(24)22(16)2/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyZKQGVJKOUURQDG-UHFFFAOYSA-N
XLogP1.46
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 5307170
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
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide (CID 3237896) is N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
The InChIKey is ZKQGVJKOUURQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-21(13-14-6-4-3-5-7-14)18(23)10-11-20-28(25,26)15-8-9-16-17(12-15)27-19(24)22(16)2/h3-9,12,20H,10-11,13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide?
N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide has a molecular weight of 403.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanamide is sourced from PubChem (CID 3237896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).