(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide

C18H18ClNO3S — CID 17413794

IUPAC(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)c1
InChIInChI=1S/C18H18ClNO3S/c1-12-4-5-14(13(2)10-12)6-9-18(21)20-17-11-15(24(3,22)23)7-8-16(17)19/h4-11H,1-3H3,(H,20,21)/b9-6+
InChIKeyHUOMULHWRNCKMA-RMKNXTFCSA-N
MW363.87 g/mol
LogP4.01
Rot. Bonds4

About (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide

(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide (PubChem CID 17413794) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide
PubChem CID17413794
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)c1
InChIInChI=1S/C18H18ClNO3S/c1-12-4-5-14(13(2)10-12)6-9-18(21)20-17-11-15(24(3,22)23)7-8-16(17)19/h4-11H,1-3H3,(H,20,21)/b9-6+
InChIKeyHUOMULHWRNCKMA-RMKNXTFCSA-N
XLogP4.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.01
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

(E)-3-(5-bromothiophen-2-yl)-N-(2-chloro-5-methylsulfonylphenyl)prop-2-enamide
CID 26860253
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 24635981
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
N-(2-chloro-5-methylsulfonylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 17418585
(E)-3-(5-bromothiophen-2-yl)-N-(2-methyl-5-methylsulfonylphenyl)prop-2-enamide
CID 26811859
N-(2-chloro-5-methylphenyl)-3-methylbut-2-enamide
CID 130162808
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
CID 86973808

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide (CID 17413794) is (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)c1.
What is the InChIKey of (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide?
The InChIKey is HUOMULHWRNCKMA-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-12-4-5-14(13(2)10-12)6-9-18(21)20-17-11-15(24(3,22)23)7-8-16(17)19/h4-11H,1-3H3,(H,20,21)/b9-6+.
What are the key properties of (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide?
(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide has a molecular weight of 363.87 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 17413794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).