(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

C19H23N3O3S — CID 94108691

IUPAC(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-13-16(22(3)4)8-11-18(14)21-19(23)12-7-15-5-9-17(10-6-15)26(24,25)20-2/h5-13,20H,1-4H3,(H,21,23)/b12-7+
InChIKeyMAHJOEIAPCTIBG-KPKJPENVSA-N
MW373.48 g/mol
LogP2.62
Rot. Bonds6

About (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 94108691) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
PubChem CID94108691
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-13-16(22(3)4)8-11-18(14)21-19(23)12-7-15-5-9-17(10-6-15)26(24,25)20-2/h5-13,20H,1-4H3,(H,21,23)/b12-7+
InChIKeyMAHJOEIAPCTIBG-KPKJPENVSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 46450480
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
CID 959463
(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55989935
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(dimethylamino)-2-methylphenyl]prop-2-enamide
CID 55709564
(E)-3-(3,4-dichlorophenyl)-N-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9219752
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (CID 94108691) is (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2C)cc1.
What is the InChIKey of (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is MAHJOEIAPCTIBG-KPKJPENVSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-13-16(22(3)4)8-11-18(14)21-19(23)12-7-15-5-9-17(10-6-15)26(24,25)20-2/h5-13,20H,1-4H3,(H,21,23)/b12-7+.
What are the key properties of (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 373.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 94108691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).