2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide

C19H21F3N2O5S — CID 169308090

IUPAC2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
SMILESCOc1cc(NC(=O)C(O)C(C)C)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O5S/c1-11(2)17(25)18(26)23-13-7-8-16(15(10-13)29-3)30(27,28)24-14-6-4-5-12(9-14)19(20,21)22/h4-11,17,24-25H,1-3H3,(H,23,26)
InChIKeyWNUDUWFDRNLQLJ-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.47
Rot. Bonds7

About 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide

2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide (PubChem CID 169308090) has the molecular formula C19H21F3N2O5S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
PubChem CID169308090
Molecular FormulaC19H21F3N2O5S
Molecular Weight446.45 g/mol
Exact Mass446.11
IUPAC Name2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
SMILESCOc1cc(NC(=O)C(O)C(C)C)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O5S/c1-11(2)17(25)18(26)23-13-7-8-16(15(10-13)29-3)30(27,28)24-14-6-4-5-12(9-14)19(20,21)22/h4-11,17,24-25H,1-3H3,(H,23,26)
InChIKeyWNUDUWFDRNLQLJ-UHFFFAOYSA-N
XLogP3.47
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 169307860
N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide
CID 169307783
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
(2R)-2-(3-methoxyphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 99957789
(2S)-N-[3-cyano-4-[[3-(1,1-difluoroethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxy-3-methylbutanamide
CID 170341373
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 170338932
2-(4-tert-butylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 21367346
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 53094757
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide?
The IUPAC name of 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide (CID 169308090) is 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide is COc1cc(NC(=O)C(O)C(C)C)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide?
The InChIKey is WNUDUWFDRNLQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S/c1-11(2)17(25)18(26)23-13-7-8-16(15(10-13)29-3)30(27,28)24-14-6-4-5-12(9-14)19(20,21)22/h4-11,17,24-25H,1-3H3,(H,23,26).
What are the key properties of 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide?
2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide has a molecular weight of 446.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 169308090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).