N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide

C24H25F3N4O2S — CID 43066568

IUPACN-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NC(C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1
InChIInChI=1S/C24H25F3N4O2S/c1-15-6-4-8-19(10-15)30-23(33)14-34-13-22(32)29-16(2)21-12-28-31(17(21)3)20-9-5-7-18(11-20)24(25,26)27/h4-12,16H,13-14H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyYQDYZEKKOPNKOF-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.06
Rot. Bonds8

About N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide

N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 43066568) has the molecular formula C24H25F3N4O2S and a molecular weight of 490.55 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID43066568
Molecular FormulaC24H25F3N4O2S
Molecular Weight490.55 g/mol
Exact Mass490.17
IUPAC NameN-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NC(C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1
InChIInChI=1S/C24H25F3N4O2S/c1-15-6-4-8-19(10-15)30-23(33)14-34-13-22(32)29-16(2)21-12-28-31(17(21)3)20-9-5-7-18(11-20)24(25,26)27/h4-12,16H,13-14H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyYQDYZEKKOPNKOF-UHFFFAOYSA-N
XLogP5.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]propanamide
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N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]cyclopropanecarboxamide
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N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
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N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazine-2-carboxamide
CID 42945226
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CID 42949419
2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9221151
4-methylsulfonyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]benzamide
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5-methyl-N-[4-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55788013
N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
CID 43007777
1,3-dimethyl-N-[(1S)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 39999792
N-(3-methylphenyl)-2-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide (CID 43066568) is N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide is Cc1cccc(NC(=O)CSCC(=O)NC(C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is YQDYZEKKOPNKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2S/c1-15-6-4-8-19(10-15)30-23(33)14-34-13-22(32)29-16(2)21-12-28-31(17(21)3)20-9-5-7-18(11-20)24(25,26)27/h4-12,16H,13-14H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 490.55 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 43066568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).