N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide

C19H22ClN3O3S — CID 55972471

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(C=CC(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C19H22ClN3O3S/c1-4-21-27(25,26)15-11-8-14(9-12-15)10-13-18(24)22-17-7-5-6-16(20)19(17)23(2)3/h5-13,21H,4H2,1-3H3,(H,22,24)
InChIKeyMSDHUSJMHZUIDP-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.36
Rot. Bonds7

About N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide

N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 55972471) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID55972471
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(C=CC(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C19H22ClN3O3S/c1-4-21-27(25,26)15-11-8-14(9-12-15)10-13-18(24)22-17-7-5-6-16(20)19(17)23(2)3/h5-13,21H,4H2,1-3H3,(H,22,24)
InChIKeyMSDHUSJMHZUIDP-UHFFFAOYSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 46485503
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
CID 26637949
(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 46450480
N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide
CID 38826839
(E)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 55678594
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783289
4-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 60532248
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-(1-tert-butylbenzimidazol-2-yl)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 56508938
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 31970765

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide (CID 55972471) is N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide is CCNS(=O)(=O)c1ccc(C=CC(=O)Nc2cccc(Cl)c2N(C)C)cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is MSDHUSJMHZUIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-4-21-27(25,26)15-11-8-14(9-12-15)10-13-18(24)22-17-7-5-6-16(20)19(17)23(2)3/h5-13,21H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide?
N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 407.92 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55972471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).