N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C16H16F3N3O3S — CID 17404636

IUPACN-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1ccnc(NC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O3S/c1-11-6-8-20-14(10-11)22-15(23)7-9-21-26(24,25)13-5-3-2-4-12(13)16(17,18)19/h2-6,8,10,21H,7,9H2,1H3,(H,20,22,23)
InChIKeyYSQYWXSVYWOYJS-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.72
Rot. Bonds6

About N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 17404636) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID17404636
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC NameN-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1ccnc(NC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O3S/c1-11-6-8-20-14(10-11)22-15(23)7-9-21-26(24,25)13-5-3-2-4-12(13)16(17,18)19/h2-6,8,10,21H,7,9H2,1H3,(H,20,22,23)
InChIKeyYSQYWXSVYWOYJS-UHFFFAOYSA-N
XLogP2.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 4782747
N-[(2-methylphenyl)methyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 31251673
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3-[(2-chlorophenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 35026494
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70703973
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 17404636) is N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is YSQYWXSVYWOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-11-6-8-20-14(10-11)22-15(23)7-9-21-26(24,25)13-5-3-2-4-12(13)16(17,18)19/h2-6,8,10,21H,7,9H2,1H3,(H,20,22,23).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 387.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 17404636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).