2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C23H22ClFN2O3S2 — CID 4093220

IUPAC2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFN2O3S2/c1-2-13-27(32(29,30)22-11-7-19(24)8-12-22)17-23(28)26(16-21-4-3-14-31-21)15-18-5-9-20(25)10-6-18/h2-12,14H,1,13,15-17H2
InChIKeyDTYPGXRLHUALKF-UHFFFAOYSA-N
MW493.03 g/mol
LogP4.95
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4093220) has the molecular formula C23H22ClFN2O3S2 and a molecular weight of 493.03 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4093220
Molecular FormulaC23H22ClFN2O3S2
Molecular Weight493.03 g/mol
Exact Mass492.07
IUPAC Name2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClFN2O3S2/c1-2-13-27(32(29,30)22-11-7-19(24)8-12-22)17-23(28)26(16-21-4-3-14-31-21)15-18-5-9-20(25)10-6-18/h2-12,14H,1,13,15-17H2
InChIKeyDTYPGXRLHUALKF-UHFFFAOYSA-N
XLogP4.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 54.95
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-(thiophen-2-ylmethyl)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

N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3627767
N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913407
N-benzyl-2-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649751
N-benzyl-2-[tert-butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060276
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide
CID 4532052
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031857
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1026590
2-[butan-2-yl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3409274
2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4259658
N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(prop-2-enyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 42776610
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3938359

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 4093220) is 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DTYPGXRLHUALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O3S2/c1-2-13-27(32(29,30)22-11-7-19(24)8-12-22)17-23(28)26(16-21-4-3-14-31-21)15-18-5-9-20(25)10-6-18/h2-12,14H,1,13,15-17H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 493.03 g/mol, XLogP of 4.95, 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4093220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).