N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide

C20H23N3O4S — CID 55621504

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O4S/c1-14-19(15(2)27-22-14)13-23(3)20(24)10-11-21-28(25,26)18-9-8-16-6-4-5-7-17(16)12-18/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyZEJUKHVSPSWNNE-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.77
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 55621504) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID55621504
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCc1noc(C)c1CN(C)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O4S/c1-14-19(15(2)27-22-14)13-23(3)20(24)10-11-21-28(25,26)18-9-8-16-6-4-5-7-17(16)12-18/h4-9,12,21H,10-11,13H2,1-3H3
InChIKeyZEJUKHVSPSWNNE-UHFFFAOYSA-N
XLogP2.77
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 31436406
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 34872762
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 55621504) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide is Cc1noc(C)c1CN(C)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is ZEJUKHVSPSWNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-19(15(2)27-22-14)13-23(3)20(24)10-11-21-28(25,26)18-9-8-16-6-4-5-7-17(16)12-18/h4-9,12,21H,10-11,13H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 401.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55621504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).