3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

C18H20N2O4S — CID 4089230

IUPAC3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-2-13-24-17-6-4-3-5-14(17)7-12-18(21)20-15-8-10-16(11-9-15)25(19,22)23/h3-12H,2,13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyRTKLSJRPGZWPPE-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.77
Rot. Bonds7

About 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 4089230) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID4089230
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-2-13-24-17-6-4-3-5-14(17)7-12-18(21)20-15-8-10-16(11-9-15)25(19,22)23/h3-12H,2,13H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyRTKLSJRPGZWPPE-UHFFFAOYSA-N
XLogP2.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.77
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

propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286
(E)-N-(4-nitrophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 19204245
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 4089233
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 6233289
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2071589
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 4089230) is 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is CCCOc1ccccc1C=CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is RTKLSJRPGZWPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-13-24-17-6-4-3-5-14(17)7-12-18(21)20-15-8-10-16(11-9-15)25(19,22)23/h3-12H,2,13H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 360.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 4089230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).