3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide

C15H20Cl2N2O3S — CID 113141417

IUPAC3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H20Cl2N2O3S/c1-3-8-18-15(20)7-10-19(23(2,21)22)9-6-12-4-5-13(16)11-14(12)17/h3-5,11H,1,6-10H2,2H3,(H,18,20)
InChIKeyQZBWBVAWSVMDTF-UHFFFAOYSA-N
MW379.31 g/mol
LogP2.49
Rot. Bonds9

About 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide

3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide (PubChem CID 113141417) has the molecular formula C15H20Cl2N2O3S and a molecular weight of 379.31 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide
PubChem CID113141417
Molecular FormulaC15H20Cl2N2O3S
Molecular Weight379.31 g/mol
Exact Mass378.06
IUPAC Name3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H20Cl2N2O3S/c1-3-8-18-15(20)7-10-19(23(2,21)22)9-6-12-4-5-13(16)11-14(12)17/h3-5,11H,1,6-10H2,2H3,(H,18,20)
InChIKeyQZBWBVAWSVMDTF-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
CID 113141414
1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
CID 113068413
1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea
CID 113068414
3-[methylsulfonyl(3-phenylpropyl)amino]-N-prop-2-enylpropanamide
CID 113140690
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
4-[2-(2,4-dichlorophenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103681
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131098

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide (CID 113141417) is 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide?
The InChIKey is QZBWBVAWSVMDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3S/c1-3-8-18-15(20)7-10-19(23(2,21)22)9-6-12-4-5-13(16)11-14(12)17/h3-5,11H,1,6-10H2,2H3,(H,18,20).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide?
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide has a molecular weight of 379.31 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113141417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).