(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide

C21H20N2O3S — CID 55506917

IUPAC(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)/C=C/c2cccc3ccccc23)c1C
InChIInChI=1S/C21H20N2O3S/c1-14-12-18(27(22,25)26)13-20(15(14)2)23-21(24)11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,1-2H3,(H,23,24)(H2,22,25,26)/b11-10+
InChIKeyVMIRENUTYXQNDR-ZHACJKMWSA-N
MW380.47 g/mol
LogP3.76
Rot. Bonds4

About (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 55506917) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID55506917
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)/C=C/c2cccc3ccccc23)c1C
InChIInChI=1S/C21H20N2O3S/c1-14-12-18(27(22,25)26)13-20(15(14)2)23-21(24)11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,1-2H3,(H,23,24)(H2,22,25,26)/b11-10+
InChIKeyVMIRENUTYXQNDR-ZHACJKMWSA-N
XLogP3.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.76
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

(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9141685
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 9141564
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-fluorophenyl)prop-2-enamide
CID 9141393
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141397
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141558
N-[(2,3-dimethylphenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3576339
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide (CID 55506917) is (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)/C=C/c2cccc3ccccc23)c1C.
What is the InChIKey of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is VMIRENUTYXQNDR-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-12-18(27(22,25)26)13-20(15(14)2)23-21(24)11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,1-2H3,(H,23,24)(H2,22,25,26)/b11-10+.
What are the key properties of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 380.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 55506917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).