(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide

C27H21N3O4S — CID 5437836

IUPAC(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C27H21N3O4S/c28-17-22(27(31)30-23-12-14-24(15-13-23)35(29,32)33)16-20-7-2-4-11-26(20)34-18-21-9-5-8-19-6-1-3-10-25(19)21/h1-16H,18H2,(H,30,31)(H2,29,32,33)/b22-16-
InChIKeyREBMZHPUSFUFEG-JWGURIENSA-N
MW483.55 g/mol
LogP4.61
Rot. Bonds7

About (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide

(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 5437836) has the molecular formula C27H21N3O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID5437836
Molecular FormulaC27H21N3O4S
Molecular Weight483.55 g/mol
Exact Mass483.13
IUPAC Name(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C27H21N3O4S/c28-17-22(27(31)30-23-12-14-24(15-13-23)35(29,32)33)16-20-7-2-4-11-26(20)34-18-21-9-5-8-19-6-1-3-10-25(19)21/h1-16H,18H2,(H,30,31)(H2,29,32,33)/b22-16-
InChIKeyREBMZHPUSFUFEG-JWGURIENSA-N
XLogP4.61
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-[2-(pyridin-2-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24628108
3-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 5034130
(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
CID 6014897
(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126248155
(E)-2-cyano-3-[2-[(2-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 94829965
2-cyano-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 4662351
3-[[(E)-3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
CID 2354611
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348
4-[[(E)-2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 7912238
(E)-2-cyano-3-[3,5-dichloro-2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 126055079
2-cyano-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 3730795
2-cyano-3-(4-methoxy-3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070945

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide (CID 5437836) is (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide is N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is REBMZHPUSFUFEG-JWGURIENSA-N. The full InChI is InChI=1S/C27H21N3O4S/c28-17-22(27(31)30-23-12-14-24(15-13-23)35(29,32)33)16-20-7-2-4-11-26(20)34-18-21-9-5-8-19-6-1-3-10-25(19)21/h1-16H,18H2,(H,30,31)(H2,29,32,33)/b22-16-.
What are the key properties of (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide?
(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 483.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 5437836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).