2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide

C23H20ClF3N2O4S — CID 43870947

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C23H20ClF3N2O4S/c1-33-21-11-10-18(14-19(21)24)34(31,32)29-20(12-15-6-3-2-4-7-15)22(30)28-17-9-5-8-16(13-17)23(25,26)27/h2-11,13-14,20,29H,12H2,1H3,(H,28,30)
InChIKeyCGLLAOCKJUMEFD-UHFFFAOYSA-N
MW512.94 g/mol
LogP4.90
Rot. Bonds8

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 43870947) has the molecular formula C23H20ClF3N2O4S and a molecular weight of 512.94 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID43870947
Molecular FormulaC23H20ClF3N2O4S
Molecular Weight512.94 g/mol
Exact Mass512.08
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C23H20ClF3N2O4S/c1-33-21-11-10-18(14-19(21)24)34(31,32)29-20(12-15-6-3-2-4-7-15)22(30)28-17-9-5-8-16(13-17)23(25,26)27/h2-11,13-14,20,29H,12H2,1H3,(H,28,30)
InChIKeyCGLLAOCKJUMEFD-UHFFFAOYSA-N
XLogP4.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.94
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide 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

(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)-3-phenylpropanamide
CID 28539138
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
CID 30166351
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 94860925
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
CID 28539074
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871402
(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860854
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94860915
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860936
(2S)-N-tert-butyl-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538888
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871386
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 43870947) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CGLLAOCKJUMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O4S/c1-33-21-11-10-18(14-19(21)24)34(31,32)29-20(12-15-6-3-2-4-7-15)22(30)28-17-9-5-8-16(13-17)23(25,26)27/h2-11,13-14,20,29H,12H2,1H3,(H,28,30).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 512.94 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 43870947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).