[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate

C17H20N4O6S — CID 55645993

IUPAC[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccn[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N4O6S/c1-12-2-3-13(10-15(12)28(24,25)21-6-8-26-9-7-21)19-16(22)11-27-17(23)14-4-5-18-20-14/h2-5,10H,6-9,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyWQVIRVGGPGGLHF-UHFFFAOYSA-N
MW408.44 g/mol
LogP0.53
Rot. Bonds6

About [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate (PubChem CID 55645993) has the molecular formula C17H20N4O6S and a molecular weight of 408.44 g/mol. Its IUPAC name is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
PubChem CID55645993
Molecular FormulaC17H20N4O6S
Molecular Weight408.44 g/mol
Exact Mass408.11
IUPAC Name[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccn[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H20N4O6S/c1-12-2-3-13(10-15(12)28(24,25)21-6-8-26-9-7-21)19-16(22)11-27-17(23)14-4-5-18-20-14/h2-5,10H,6-9,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyWQVIRVGGPGGLHF-UHFFFAOYSA-N
XLogP0.53
TPSA130.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate
CID 30967220
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 16522358
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 42962844
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 5021735
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 27985457
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
CID 5109082

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
The IUPAC name of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate (CID 55645993) is [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate.
What is the SMILES notation for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
The canonical SMILES for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccn[nH]2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
The InChIKey is WQVIRVGGPGGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6S/c1-12-2-3-13(10-15(12)28(24,25)21-6-8-26-9-7-21)19-16(22)11-27-17(23)14-4-5-18-20-14/h2-5,10H,6-9,11H2,1H3,(H,18,20)(H,19,22).
What are the key properties of [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate?
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate has a molecular weight of 408.44 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 55645993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).