5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide

C19H20F3N3O4S — CID 39502349

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O4S/c1-12-2-5-15(30(27,28)25-14-3-4-14)9-16(12)18(26)24-10-13-6-7-23-17(8-13)29-11-19(20,21)22/h2,5-9,14,25H,3-4,10-11H2,1H3,(H,24,26)
InChIKeyUQMUIBNCXXZKED-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.70
Rot. Bonds8

About 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide

5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide (PubChem CID 39502349) has the molecular formula C19H20F3N3O4S and a molecular weight of 443.45 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
PubChem CID39502349
Molecular FormulaC19H20F3N3O4S
Molecular Weight443.45 g/mol
Exact Mass443.11
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O4S/c1-12-2-5-15(30(27,28)25-14-3-4-14)9-16(12)18(26)24-10-13-6-7-23-17(8-13)29-11-19(20,21)22/h2,5-9,14,25H,3-4,10-11H2,1H3,(H,24,26)
InChIKeyUQMUIBNCXXZKED-UHFFFAOYSA-N
XLogP2.70
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
CID 120641796
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55953105
5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 46401488
4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46475804
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501591
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide (CID 39502349) is 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide?
The InChIKey is UQMUIBNCXXZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4S/c1-12-2-5-15(30(27,28)25-14-3-4-14)9-16(12)18(26)24-10-13-6-7-23-17(8-13)29-11-19(20,21)22/h2,5-9,14,25H,3-4,10-11H2,1H3,(H,24,26).
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide?
5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide has a molecular weight of 443.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 39502349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).