2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C17H19F3N4O2S — CID 3540830

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C17H19F3N4O2S/c1-23-5-4-21-16(23)27-11-15(25)22-13-10-12(17(18,19)20)2-3-14(13)24-6-8-26-9-7-24/h2-5,10H,6-9,11H2,1H3,(H,22,25)
InChIKeyTZUBEDZUYFGZIU-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.01
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 3540830) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID3540830
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C17H19F3N4O2S/c1-23-5-4-21-16(23)27-11-15(25)22-13-10-12(17(18,19)20)2-3-14(13)24-6-8-26-9-7-24/h2-5,10H,6-9,11H2,1H3,(H,22,25)
InChIKeyTZUBEDZUYFGZIU-UHFFFAOYSA-N
XLogP3.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16518761
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2979744
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1009399
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 42122691
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 39923349
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 134065412
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2234072
2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 41305861
N-(3-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24687588
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 9231136
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 3540830) is 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cn1ccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TZUBEDZUYFGZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-23-5-4-21-16(23)27-11-15(25)22-13-10-12(17(18,19)20)2-3-14(13)24-6-8-26-9-7-24/h2-5,10H,6-9,11H2,1H3,(H,22,25).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 400.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3540830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).