N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C17H17F3N4O2S — CID 55498018

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17F3N4O2S/c18-17(19,20)12-1-4-16(22-9-12)27-11-15(25)23-13-2-3-14(21-10-13)24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,25)
InChIKeyQCRJKTXDNQGVFU-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.06
Rot. Bonds5

About N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 55498018) has the molecular formula C17H17F3N4O2S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID55498018
Molecular FormulaC17H17F3N4O2S
Molecular Weight398.41 g/mol
Exact Mass398.10
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H17F3N4O2S/c18-17(19,20)12-1-4-16(22-9-12)27-11-15(25)23-13-2-3-14(21-10-13)24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,25)
InChIKeyQCRJKTXDNQGVFU-UHFFFAOYSA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 31888958
2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 24590429
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
N-methyl-2-[4-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]phenyl]acetamide
CID 134004407
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55526751
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 24665525
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 29107496
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 55498018) is N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is QCRJKTXDNQGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2S/c18-17(19,20)12-1-4-16(22-9-12)27-11-15(25)23-13-2-3-14(21-10-13)24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,23,25).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 398.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 55498018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).