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

C16H19N3O3S2 — CID 55502649

IUPAC(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C16H19N3O3S2/c1-11(13-4-7-15(8-5-13)24(17,21)22)19(3)16(20)9-6-14-10-23-12(2)18-14/h4-11H,1-3H3,(H2,17,21,22)/b9-6+
InChIKeyUKQHCJSSPSGIGP-RMKNXTFCSA-N
MW365.48 g/mol
LogP2.33
Rot. Bonds5

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

(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide (PubChem CID 55502649) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
PubChem CID55502649
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
SMILESCc1nc(/C=C/C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C16H19N3O3S2/c1-11(13-4-7-15(8-5-13)24(17,21)22)19(3)16(20)9-6-14-10-23-12(2)18-14/h4-11H,1-3H3,(H2,17,21,22)/b9-6+
InChIKeyUKQHCJSSPSGIGP-RMKNXTFCSA-N
XLogP2.33
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide (CID 55502649) is (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide is Cc1nc(/C=C/C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
The InChIKey is UKQHCJSSPSGIGP-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-11(13-4-7-15(8-5-13)24(17,21)22)19(3)16(20)9-6-14-10-23-12(2)18-14/h4-11H,1-3H3,(H2,17,21,22)/b9-6+.
What are the key properties of (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide?
(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide has a molecular weight of 365.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 55502649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).