N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide

C17H15F3N2O3S — CID 37028672

IUPACN-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C17H15F3N2O3S/c18-17(19,20)26(24,25)15-7-3-13(4-8-15)16(23)22(14-5-6-14)11-12-2-1-9-21-10-12/h1-4,7-10,14H,5-6,11H2
InChIKeyLYRYAJHEDIFIHS-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.18
Rot. Bonds5

About N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide

N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 37028672) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID37028672
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C17H15F3N2O3S/c18-17(19,20)26(24,25)15-7-3-13(4-8-15)16(23)22(14-5-6-14)11-12-2-1-9-21-10-12/h1-4,7-10,14H,5-6,11H2
InChIKeyLYRYAJHEDIFIHS-UHFFFAOYSA-N
XLogP3.18
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47076770
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 122564926
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide (CID 37028672) is N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide is O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N(Cc1cccnc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is LYRYAJHEDIFIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c18-17(19,20)26(24,25)15-7-3-13(4-8-15)16(23)22(14-5-6-14)11-12-2-1-9-21-10-12/h1-4,7-10,14H,5-6,11H2.
What are the key properties of N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide?
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 384.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 37028672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).