(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide

C18H20N2O3S — CID 17480995

IUPAC(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-14(16-9-11-17(12-10-16)24(19,22)23)20(2)18(21)13-8-15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,19,22,23)/b13-8+
InChIKeyBBCWVLWLDMCSFI-MDWZMJQESA-N
MW344.44 g/mol
LogP2.57
Rot. Bonds5

About (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide

(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide (PubChem CID 17480995) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
PubChem CID17480995
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-14(16-9-11-17(12-10-16)24(19,22)23)20(2)18(21)13-8-15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,19,22,23)/b13-8+
InChIKeyBBCWVLWLDMCSFI-MDWZMJQESA-N
XLogP2.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dichlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 24560290
(E)-N-methyl-3-(2-nitrophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 46635557
4-[1-[methyl-[(E)-2-phenylethenyl]sulfonylamino]ethyl]benzenesulfonamide
CID 51183821
3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 61044170
(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 55502649
(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 46635360
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 42946005
3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 43074821
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide (CID 17480995) is (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
The InChIKey is BBCWVLWLDMCSFI-MDWZMJQESA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14(16-9-11-17(12-10-16)24(19,22)23)20(2)18(21)13-8-15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,19,22,23)/b13-8+.
What are the key properties of (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 17480995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).