methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate

C12H15N3O4S2 — CID 61061458

IUPACmethyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)OC)c2)s1
InChIInChI=1S/C12H15N3O4S2/c1-3-10-4-5-12(20-10)21(17,18)14-9-6-13-15(7-9)8-11(16)19-2/h4-7,14H,3,8H2,1-2H3
InChIKeyXHKMVQQARBQVGD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.48
Rot. Bonds6

About methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate

methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate (PubChem CID 61061458) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate
PubChem CID61061458
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Namemethyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)OC)c2)s1
InChIInChI=1S/C12H15N3O4S2/c1-3-10-4-5-12(20-10)21(17,18)14-9-6-13-15(7-9)8-11(16)19-2/h4-7,14H,3,8H2,1-2H3
InChIKeyXHKMVQQARBQVGD-UHFFFAOYSA-N
XLogP1.48
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
CID 61017871
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729
5-ethyl-N-imidazo[1,2-a]pyridin-6-ylthiophene-2-sulfonamide
CID 110734784
2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]phenyl]tetrazole-5-carboxamide
CID 71792233
5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 90622425
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate (CID 61061458) is methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate is CCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)OC)c2)s1.
What is the InChIKey of methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate?
The InChIKey is XHKMVQQARBQVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-3-10-4-5-12(20-10)21(17,18)14-9-6-13-15(7-9)8-11(16)19-2/h4-7,14H,3,8H2,1-2H3.
What are the key properties of methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate?
methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate has a molecular weight of 329.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate is sourced from PubChem (CID 61061458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).