N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C21H23ClN2O4S — CID 3929869

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C21H23ClN2O4S/c1-15-13-16(2)21(19(22)14-15)23-20(25)8-5-17-3-6-18(7-4-17)29(26,27)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyAUWIABAPTRUVNI-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.63
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 3929869) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID3929869
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C21H23ClN2O4S/c1-15-13-16(2)21(19(22)14-15)23-20(25)8-5-17-3-6-18(7-4-17)29(26,27)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyAUWIABAPTRUVNI-UHFFFAOYSA-N
XLogP3.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2600144
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
N-(4-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904513
N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71904558
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2665542
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
N-(2,6-difluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 76859964
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 2679093
3-(4-methylphenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4620273
(E)-3-(4-aminophenyl)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 84552557
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
(E)-N-(5-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 8919585

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 3929869) is N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is Cc1cc(C)c(NC(=O)C=Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is AUWIABAPTRUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-15-13-16(2)21(19(22)14-15)23-20(25)8-5-17-3-6-18(7-4-17)29(26,27)24-9-11-28-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 434.95 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 3929869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).