(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide

C23H22N2O3S — CID 98910520

IUPAC(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H22N2O3S/c26-23(15-10-19-6-3-5-18-4-1-2-7-22(18)19)24-16-17-8-13-21(14-9-17)29(27,28)25-20-11-12-20/h1-10,13-15,20,25H,11-12,16H2,(H,24,26)/b15-10+
InChIKeyHVQHKPCAZQWNQQ-XNTDXEJSSA-N
MW406.51 g/mol
LogP3.61
Rot. Bonds7

About (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 98910520) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID98910520
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H22N2O3S/c26-23(15-10-19-6-3-5-18-4-1-2-7-22(18)19)24-16-17-8-13-21(14-9-17)29(27,28)25-20-11-12-20/h1-10,13-15,20,25H,11-12,16H2,(H,24,26)/b15-10+
InChIKeyHVQHKPCAZQWNQQ-XNTDXEJSSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3314402
(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 98910939
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
4-[[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 39412399
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-[(3-bromo-4-methoxyphenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 76879785
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
(E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 24617435
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide (CID 98910520) is (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is HVQHKPCAZQWNQQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-23(15-10-19-6-3-5-18-4-1-2-7-22(18)19)24-16-17-8-13-21(14-9-17)29(27,28)25-20-11-12-20/h1-10,13-15,20,25H,11-12,16H2,(H,24,26)/b15-10+.
What are the key properties of (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 406.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 98910520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).