N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

C19H20F3N3O5S — CID 30860581

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3O5S/c1-25(2)17(26)11-30-15-8-6-14(7-9-15)24-18(27)13-4-3-5-16(10-13)31(28,29)23-12-19(20,21)22/h3-10,23H,11-12H2,1-2H3,(H,24,27)
InChIKeyUYBHKOMVOWYEFY-UHFFFAOYSA-N
MW459.45 g/mol
LogP2.25
Rot. Bonds8

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (PubChem CID 30860581) has the molecular formula C19H20F3N3O5S and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
PubChem CID30860581
Molecular FormulaC19H20F3N3O5S
Molecular Weight459.45 g/mol
Exact Mass459.11
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3N3O5S/c1-25(2)17(26)11-30-15-8-6-14(7-9-15)24-18(27)13-4-3-5-16(10-13)31(28,29)23-12-19(20,21)22/h3-10,23H,11-12H2,1-2H3,(H,24,27)
InChIKeyUYBHKOMVOWYEFY-UHFFFAOYSA-N
XLogP2.25
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 30860784
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17450702
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 30860583
N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24536388
tert-butyl N-[3-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]carbamate
CID 46612905
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24610745
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (CID 30860581) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is CN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The InChIKey is UYBHKOMVOWYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O5S/c1-25(2)17(26)11-30-15-8-6-14(7-9-15)24-18(27)13-4-3-5-16(10-13)31(28,29)23-12-19(20,21)22/h3-10,23H,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide has a molecular weight of 459.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is sourced from PubChem (CID 30860581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).