[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

C19H20N4O5S2 — CID 55704725

IUPAC[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCc1ccc(-n2nc(C)cc2NC(=O)COC(=O)CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H20N4O5S2/c1-13-5-7-15(8-6-13)23-16(10-14(2)22-23)21-17(24)12-28-18(25)11-20-30(26,27)19-4-3-9-29-19/h3-10,20H,11-12H2,1-2H3,(H,21,24)
InChIKeyDLTRCYRJXOTOAT-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.01
Rot. Bonds8

About [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate

[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 55704725) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID55704725
Molecular FormulaC19H20N4O5S2
Molecular Weight448.53 g/mol
Exact Mass448.09
IUPAC Name[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCc1ccc(-n2nc(C)cc2NC(=O)COC(=O)CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H20N4O5S2/c1-13-5-7-15(8-6-13)23-16(10-14(2)22-23)21-17(24)12-28-18(25)11-20-30(26,27)19-4-3-9-29-19/h3-10,20H,11-12H2,1-2H3,(H,21,24)
InChIKeyDLTRCYRJXOTOAT-UHFFFAOYSA-N
XLogP2.01
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate with MolForge

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Related Compounds

[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55998296
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55999227
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 55925781
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 46458891
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970020
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 9487657
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 29426574
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 9487408
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8736719
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 29405482
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27197266
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 41162093

Frequently Asked Questions

What is the IUPAC name of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 55704725) is [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)CNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is DLTRCYRJXOTOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S2/c1-13-5-7-15(8-6-13)23-16(10-14(2)22-23)21-17(24)12-28-18(25)11-20-30(26,27)19-4-3-9-29-19/h3-10,20H,11-12H2,1-2H3,(H,21,24).
What are the key properties of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 448.53 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 55704725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).