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

C23H21F3N2O4S — CID 126086784

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-32-20-11-13-21(14-12-20)33(30,31)28(15-17-5-3-2-4-6-17)16-22(29)27-19-9-7-18(8-10-19)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyDFHCHCDTYQXNER-UHFFFAOYSA-N
MW478.49 g/mol
LogP4.54
Rot. Bonds8

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

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 126086784) has the molecular formula C23H21F3N2O4S and a molecular weight of 478.49 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID126086784
Molecular FormulaC23H21F3N2O4S
Molecular Weight478.49 g/mol
Exact Mass478.12
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-32-20-11-13-21(14-12-20)33(30,31)28(15-17-5-3-2-4-6-17)16-22(29)27-19-9-7-18(8-10-19)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyDFHCHCDTYQXNER-UHFFFAOYSA-N
XLogP4.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1284888
2-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]sulfonyl-[(4-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 3202163
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 43872455
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 126086784) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DFHCHCDTYQXNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S/c1-32-20-11-13-21(14-12-20)33(30,31)28(15-17-5-3-2-4-6-17)16-22(29)27-19-9-7-18(8-10-19)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 478.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126086784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).