(E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide

C19H16N2O3S2 — CID 129260010

IUPAC(E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCS(=O)(=O)c1cccc(NC(=O)/C=C/c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C19H16N2O3S2/c1-26(23,24)17-9-5-8-15(12-17)21-18(22)11-10-16-13-20-19(25-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,22)/b11-10+
InChIKeyOMCVLCRIOPTPMI-ZHACJKMWSA-N
MW384.48 g/mol
LogP3.87
Rot. Bonds5

About (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide

(E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide (PubChem CID 129260010) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide
PubChem CID129260010
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC Name(E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide
SMILESCS(=O)(=O)c1cccc(NC(=O)/C=C/c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C19H16N2O3S2/c1-26(23,24)17-9-5-8-15(12-17)21-18(22)11-10-16-13-20-19(25-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,22)/b11-10+
InChIKeyOMCVLCRIOPTPMI-ZHACJKMWSA-N
XLogP3.87
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.87
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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Related Compounds

(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334682
(E)-3-(2-bromophenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072299
3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 69008565
(E)-3-(1-benzyltriazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072642
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9071708
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
(E)-3-(4-chloro-3-nitrophenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334931

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide (CID 129260010) is (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide is CS(=O)(=O)c1cccc(NC(=O)/C=C/c2cnc(-c3ccccc3)s2)c1.
What is the InChIKey of (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
The InChIKey is OMCVLCRIOPTPMI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-26(23,24)17-9-5-8-15(12-17)21-18(22)11-10-16-13-20-19(25-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,22)/b11-10+.
What are the key properties of (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide?
(E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide has a molecular weight of 384.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylsulfonylphenyl)-3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 129260010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).