(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide

C20H18N2O4S — CID 34752671

IUPAC(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc2cc(/C=C/C(=O)Nc3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C20H18N2O4S/c1-26-18-9-8-15-11-14(5-7-16(15)12-18)6-10-20(23)22-17-3-2-4-19(13-17)27(21,24)25/h2-13H,1H3,(H,22,23)(H2,21,24,25)/b10-6+
InChIKeyXPYFAKURTNWSCM-UXBLZVDNSA-N
MW382.44 g/mol
LogP3.15
Rot. Bonds5

About (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide

(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide (PubChem CID 34752671) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
PubChem CID34752671
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc2cc(/C=C/C(=O)Nc3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C20H18N2O4S/c1-26-18-9-8-15-11-14(5-7-16(15)12-18)6-10-20(23)22-17-3-2-4-19(13-17)27(21,24)25/h2-13H,1H3,(H,22,23)(H2,21,24,25)/b10-6+
InChIKeyXPYFAKURTNWSCM-UXBLZVDNSA-N
XLogP3.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9412994
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 71904110
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
3-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]prop-2-enamide
CID 71820192
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide (CID 34752671) is (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide is COc1ccc2cc(/C=C/C(=O)Nc3cccc(S(N)(=O)=O)c3)ccc2c1.
What is the InChIKey of (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is XPYFAKURTNWSCM-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-26-18-9-8-15-11-14(5-7-16(15)12-18)6-10-20(23)22-17-3-2-4-19(13-17)27(21,24)25/h2-13H,1H3,(H,22,23)(H2,21,24,25)/b10-6+.
What are the key properties of (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide?
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide has a molecular weight of 382.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 34752671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).