2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C19H22ClN3O5S2 — CID 24661139

IUPAC2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESC=CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O5S2/c1-4-12-23(30(27,28)17-10-8-15(20)9-11-17)14-19(24)21-16-6-5-7-18(13-16)29(25,26)22(2)3/h4-11,13H,1,12,14H2,2-3H3,(H,21,24)
InChIKeyYPLHGAKCAANHPO-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.41
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 24661139) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID24661139
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESC=CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O5S2/c1-4-12-23(30(27,28)17-10-8-15(20)9-11-17)14-19(24)21-16-6-5-7-18(13-16)29(25,26)22(2)3/h4-11,13H,1,12,14H2,2-3H3,(H,21,24)
InChIKeyYPLHGAKCAANHPO-UHFFFAOYSA-N
XLogP2.41
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide 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

2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
N-(4-chloro-2-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17398186
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
3-[3-(dimethylsulfamoyl)phenyl]-1,1-bis(prop-2-enyl)thiourea
CID 8624470
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 2476440
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 24661139) is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is YPLHGAKCAANHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c1-4-12-23(30(27,28)17-10-8-15(20)9-11-17)14-19(24)21-16-6-5-7-18(13-16)29(25,26)22(2)3/h4-11,13H,1,12,14H2,2-3H3,(H,21,24).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 471.99 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 24661139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).