N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide

C19H21F3N2O5S — CID 24604753

IUPACN-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1OCC
InChIInChI=1S/C19H21F3N2O5S/c1-4-28-17-9-7-14(11-18(17)29-5-2)30(26,27)24-16-8-6-13(23-12(3)25)10-15(16)19(20,21)22/h6-11,24H,4-5H2,1-3H3,(H,23,25)
InChIKeyIJHINTRMOVYWAW-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.26
Rot. Bonds8

About N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide

N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 24604753) has the molecular formula C19H21F3N2O5S and a molecular weight of 446.45 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID24604753
Molecular FormulaC19H21F3N2O5S
Molecular Weight446.45 g/mol
Exact Mass446.11
IUPAC NameN-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1OCC
InChIInChI=1S/C19H21F3N2O5S/c1-4-28-17-9-7-14(11-18(17)29-5-2)30(26,27)24-16-8-6-13(23-12(3)25)10-15(16)19(20,21)22/h6-11,24H,4-5H2,1-3H3,(H,23,25)
InChIKeyIJHINTRMOVYWAW-UHFFFAOYSA-N
XLogP4.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969
4-[[4-acetamido-2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 24591397
N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
CID 24591363
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
CID 108519957
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512808
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide (CID 24604753) is N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1OCC.
What is the InChIKey of N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IJHINTRMOVYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S/c1-4-28-17-9-7-14(11-18(17)29-5-2)30(26,27)24-16-8-6-13(23-12(3)25)10-15(16)19(20,21)22/h6-11,24H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 446.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24604753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).