(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C19H19F3N2O3S — CID 26774017

IUPAC(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3S/c1-13-7-9-16(28(26,27)24(2)3)12-17(13)23-18(25)10-8-14-5-4-6-15(11-14)19(20,21)22/h4-12H,1-3H3,(H,23,25)/b10-8+
InChIKeyQMGKLWQSRZDXAJ-CSKARUKUSA-N
MW412.43 g/mol
LogP3.92
Rot. Bonds5

About (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 26774017) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID26774017
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3S/c1-13-7-9-16(28(26,27)24(2)3)12-17(13)23-18(25)10-8-14-5-4-6-15(11-14)19(20,21)22/h4-12H,1-3H3,(H,23,25)/b10-8+
InChIKeyQMGKLWQSRZDXAJ-CSKARUKUSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.92
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

N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591739
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7688971
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333665
(1E,4E)-1-(dimethylamino)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 1479406
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[3-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetamide
CID 4125754
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-phenylprop-2-enoate
CID 71953474
(E)-3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]prop-2-enamide
CID 7689072

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 26774017) is (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is QMGKLWQSRZDXAJ-CSKARUKUSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-13-7-9-16(28(26,27)24(2)3)12-17(13)23-18(25)10-8-14-5-4-6-15(11-14)19(20,21)22/h4-12H,1-3H3,(H,23,25)/b10-8+.
What are the key properties of (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 412.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 26774017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).