2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

C24H24ClFN2O3S2 — CID 4683490

IUPAC2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN2O3S2/c1-3-14-28(33(30,31)23-12-7-20(25)8-13-23)17-24(29)27(16-22-11-4-18(2)32-22)15-19-5-9-21(26)10-6-19/h3-13H,1,14-17H2,2H3
InChIKeyBIKBTMBBFOXZRQ-UHFFFAOYSA-N
MW507.05 g/mol
LogP5.25
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 4683490) has the molecular formula C24H24ClFN2O3S2 and a molecular weight of 507.05 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID4683490
Molecular FormulaC24H24ClFN2O3S2
Molecular Weight507.05 g/mol
Exact Mass506.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN2O3S2/c1-3-14-28(33(30,31)23-12-7-20(25)8-13-23)17-24(29)27(16-22-11-4-18(2)32-22)15-19-5-9-21(26)10-6-19/h3-13H,1,14-17H2,2H3
InChIKeyBIKBTMBBFOXZRQ-UHFFFAOYSA-N
XLogP5.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.05
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 4683490) is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is BIKBTMBBFOXZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O3S2/c1-3-14-28(33(30,31)23-12-7-20(25)8-13-23)17-24(29)27(16-22-11-4-18(2)32-22)15-19-5-9-21(26)10-6-19/h3-13H,1,14-17H2,2H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 507.05 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 4683490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).