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

C23H20ClF3N2O4S — CID 3955191

IUPAC2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClF3N2O4S/c1-33-21-12-11-19(13-20(21)24)34(31,32)29(14-16-5-3-2-4-6-16)15-22(30)28-18-9-7-17(8-10-18)23(25,26)27/h2-13H,14-15H2,1H3,(H,28,30)
InChIKeyDEPPNSOVCSBEOI-UHFFFAOYSA-N
MW512.94 g/mol
LogP5.20
Rot. Bonds8

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

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 3955191) has the molecular formula C23H20ClF3N2O4S and a molecular weight of 512.94 g/mol. Its IUPAC name is 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID3955191
Molecular FormulaC23H20ClF3N2O4S
Molecular Weight512.94 g/mol
Exact Mass512.08
IUPAC Name2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClF3N2O4S/c1-33-21-12-11-19(13-20(21)24)34(31,32)29(14-16-5-3-2-4-6-16)15-22(30)28-18-9-7-17(8-10-18)23(25,26)27/h2-13H,14-15H2,1H3,(H,28,30)
InChIKeyDEPPNSOVCSBEOI-UHFFFAOYSA-N
XLogP5.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.94
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 43872455
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 3292626
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 92645661
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126086784
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-iodophenyl)acetamide
CID 126393774
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069625
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 3372862

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 3955191) is 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DEPPNSOVCSBEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O4S/c1-33-21-12-11-19(13-20(21)24)34(31,32)29(14-16-5-3-2-4-6-16)15-22(30)28-18-9-7-17(8-10-18)23(25,26)27/h2-13H,14-15H2,1H3,(H,28,30).
What are the key properties of 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 512.94 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3955191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).