N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide

C20H22F3N3O2S — CID 55611735

IUPACN-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H22F3N3O2S/c1-13(2)26(3)19(28)15-6-4-14(5-7-15)10-24-17(27)12-29-18-9-8-16(11-25-18)20(21,22)23/h4-9,11,13H,10,12H2,1-3H3,(H,24,27)
InChIKeyYKGVJJJEQIMPMH-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.99
Rot. Bonds7

About N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide

N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide (PubChem CID 55611735) has the molecular formula C20H22F3N3O2S and a molecular weight of 425.48 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide
PubChem CID55611735
Molecular FormulaC20H22F3N3O2S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC NameN-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H22F3N3O2S/c1-13(2)26(3)19(28)15-6-4-14(5-7-15)10-24-17(27)12-29-18-9-8-16(11-25-18)20(21,22)23/h4-9,11,13H,10,12H2,1-3H3,(H,24,27)
InChIKeyYKGVJJJEQIMPMH-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 111460902
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
3-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]propanoic acid
CID 119140122
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 31888958
N-methyl-N-(2-methylpropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134005894
N-[[3-(phenoxymethyl)phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55903101
N-[1-(4-bromophenyl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364493
N-methyl-2-[4-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]phenyl]acetamide
CID 134004407
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305
N-[(2-ethoxy-3-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134004654
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55715793
N-(1-hydroxy-4-methoxybutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 119037667

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide (CID 55611735) is N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide is CC(C)N(C)C(=O)c1ccc(CNC(=O)CSc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide?
The InChIKey is YKGVJJJEQIMPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2S/c1-13(2)26(3)19(28)15-6-4-14(5-7-15)10-24-17(27)12-29-18-9-8-16(11-25-18)20(21,22)23/h4-9,11,13H,10,12H2,1-3H3,(H,24,27).
What are the key properties of N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide?
N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide has a molecular weight of 425.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-4-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 55611735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).