2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C18H17N3O4S — CID 3704989

IUPAC2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESC=CCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H17N3O4S/c1-2-10-21(13-18(22)19-17-9-11-25-20-17)26(23,24)16-8-7-14-5-3-4-6-15(14)12-16/h2-9,11-12H,1,10,13H2,(H,19,20,22)
InChIKeyZZRADPYDEPCROQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.64
Rot. Bonds7

About 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide

2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 3704989) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID3704989
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESC=CCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H17N3O4S/c1-2-10-21(13-18(22)19-17-9-11-25-20-17)26(23,24)16-8-7-14-5-3-4-6-15(14)12-16/h2-9,11-12H,1,10,13H2,(H,19,20,22)
InChIKeyZZRADPYDEPCROQ-UHFFFAOYSA-N
XLogP2.64
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769416
N-cyclopropyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 813744
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 16591299
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
CID 813689
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3702192
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 24661139

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 3704989) is 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide is C=CCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is ZZRADPYDEPCROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-2-10-21(13-18(22)19-17-9-11-25-20-17)26(23,24)16-8-7-14-5-3-4-6-15(14)12-16/h2-9,11-12H,1,10,13H2,(H,19,20,22).
What are the key properties of 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3704989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).