anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide

C21H26N2O5S — CID 174437621

IUPACanisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide
SMILESC=CCS(=O)(=O)N(C=Cc1ccccc1)CCC(=O)NO.COc1ccccc1
InChIInChI=1S/C14H18N2O4S.C7H8O/c1-2-12-21(19,20)16(11-9-14(17)15-18)10-8-13-6-4-3-5-7-13;1-8-7-5-3-2-4-6-7/h2-8,10,18H,1,9,11-12H2,(H,15,17);2-6H,1H3
InChIKeyAGWBNUXRFJANKD-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.07
Rot. Bonds9

About anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide

anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide (PubChem CID 174437621) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide.

Molecular Properties

Compound Nameanisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide
PubChem CID174437621
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Nameanisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide
SMILESC=CCS(=O)(=O)N(C=Cc1ccccc1)CCC(=O)NO.COc1ccccc1
InChIInChI=1S/C14H18N2O4S.C7H8O/c1-2-12-21(19,20)16(11-9-14(17)15-18)10-8-13-6-4-3-5-7-13;1-8-7-5-3-2-4-6-7/h2-8,10,18H,1,9,11-12H2,(H,15,17);2-6H,1H3
InChIKeyAGWBNUXRFJANKD-UHFFFAOYSA-N
XLogP3.07
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

anisole;methyl 2-[(2-aminophenyl)methyl-prop-2-enylsulfonylamino]-3-hydroxypropanoate
CID 174389227
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
anisole;methyl 4-[[(1-amino-3-methyl-1-oxobutan-2-yl)-prop-2-enylsulfonylamino]methyl]benzoate
CID 175237743
anisole;benzaldehyde;ethane;methoxymethane;3-methoxyprop-1-ene
CID 157294225
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
CID 2274017
N-methoxy-N-phenylprop-2-ene-1-sulfonamide
CID 87802468
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
CID 91458005
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
anisole;N-phenyl-N-(1-phenylpyrazol-4-yl)prop-2-ene-1-sulfonamide
CID 174392438
2-phenylethenyl(propyl)carbamic acid
CID 174766085
N-benzyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
CID 2097234

Frequently Asked Questions

What is the IUPAC name of anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide?
The IUPAC name of anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide (CID 174437621) is anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide.
What is the SMILES notation for anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide?
The canonical SMILES for anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide is C=CCS(=O)(=O)N(C=Cc1ccccc1)CCC(=O)NO.COc1ccccc1.
What is the InChIKey of anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide?
The InChIKey is AGWBNUXRFJANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S.C7H8O/c1-2-12-21(19,20)16(11-9-14(17)15-18)10-8-13-6-4-3-5-7-13;1-8-7-5-3-2-4-6-7/h2-8,10,18H,1,9,11-12H2,(H,15,17);2-6H,1H3.
What are the key properties of anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide?
anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide has a molecular weight of 418.52 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;N-hydroxy-3-[2-phenylethenyl(prop-2-enylsulfonyl)amino]propanamide is sourced from PubChem (CID 174437621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).