methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate

C24H22N4O4S — CID 55781823

IUPACmethyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C24H22N4O4S/c1-15-19-13-20(33-24(19)28(27-15)18-6-4-3-5-7-18)23(31)26-17-10-8-16(9-11-17)12-21(29)25-14-22(30)32-2/h3-11,13H,12,14H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyDGCLJTQYXFOTGX-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.48
Rot. Bonds7

About methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate (PubChem CID 55781823) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
PubChem CID55781823
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Namemethyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C24H22N4O4S/c1-15-19-13-20(33-24(19)28(27-15)18-6-4-3-5-7-18)23(31)26-17-10-8-16(9-11-17)12-21(29)25-14-22(30)32-2/h3-11,13H,12,14H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyDGCLJTQYXFOTGX-UHFFFAOYSA-N
XLogP3.48
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27744208
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2355904
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 134704902
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1310840
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 38628597
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate (CID 55781823) is methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate?
The InChIKey is DGCLJTQYXFOTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-15-19-13-20(33-24(19)28(27-15)18-6-4-3-5-7-18)23(31)26-17-10-8-16(9-11-17)12-21(29)25-14-22(30)32-2/h3-11,13H,12,14H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate has a molecular weight of 462.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).