methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate

C15H22N4O5S — CID 75270322

IUPACmethyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1C(C)NNC1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N4O5S/c1-9-4-6-11(7-5-9)19-25(22,23)15-13(10(2)17-18-15)14(21)16-8-12(20)24-3/h4-7,10,13,15,17-19H,8H2,1-3H3,(H,16,21)
InChIKeyDCEMESNROQCIQT-UHFFFAOYSA-N
MW370.43 g/mol
LogP-0.54
Rot. Bonds6

About methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate

methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate (PubChem CID 75270322) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate
PubChem CID75270322
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Namemethyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1C(C)NNC1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N4O5S/c1-9-4-6-11(7-5-9)19-25(22,23)15-13(10(2)17-18-15)14(21)16-8-12(20)24-3/h4-7,10,13,15,17-19H,8H2,1-3H3,(H,16,21)
InChIKeyDCEMESNROQCIQT-UHFFFAOYSA-N
XLogP-0.54
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide
CID 75270281
3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide
CID 75270307
ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate
CID 75270012
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
CID 8841355
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
methyl 2-acetamidoacetate;1-methyl-4-nitrobenzene
CID 142273751
methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 82584290
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
acetamidomethyl 4-methylbenzenesulfonate
CID 142756617
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
CID 55638896
methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate
CID 43404745

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate (CID 75270322) is methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)C1C(C)NNC1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate?
The InChIKey is DCEMESNROQCIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-9-4-6-11(7-5-9)19-25(22,23)15-13(10(2)17-18-15)14(21)16-8-12(20)24-3/h4-7,10,13,15,17-19H,8H2,1-3H3,(H,16,21).
What are the key properties of methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate?
methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate has a molecular weight of 370.43 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 75270322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).