methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate

C15H22N2O7S2 — CID 3476036

IUPACmethyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C15H22N2O7S2/c1-9(2)7-10(14(19)23-3)17-12(18)8-16-26(21,22)11-5-6-25-13(11)15(20)24-4/h5-6,9-10,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyNVYJQAOLCPEIHU-UHFFFAOYSA-N
MW406.48 g/mol
LogP0.52
Rot. Bonds9

About methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 3476036) has the molecular formula C15H22N2O7S2 and a molecular weight of 406.48 g/mol. Its IUPAC name is methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID3476036
Molecular FormulaC15H22N2O7S2
Molecular Weight406.48 g/mol
Exact Mass406.09
IUPAC Namemethyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C15H22N2O7S2/c1-9(2)7-10(14(19)23-3)17-12(18)8-16-26(21,22)11-5-6-25-13(11)15(20)24-4/h5-6,9-10,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyNVYJQAOLCPEIHU-UHFFFAOYSA-N
XLogP0.52
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3699579
methyl 3-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]sulfamoyl]thiophene-2-carboxylate
CID 47034950
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3298389
methyl 2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3513146
methyl 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3750303
methyl (2S)-4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetyl]amino]pentanoate
CID 74226102
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008699
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
methyl 3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 43409814
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate (CID 3476036) is methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCC(=O)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is NVYJQAOLCPEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7S2/c1-9(2)7-10(14(19)23-3)17-12(18)8-16-26(21,22)11-5-6-25-13(11)15(20)24-4/h5-6,9-10,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3476036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).