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

C15H22N2O7S2 — CID 3699579

IUPACmethyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCC(NC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC)C(=O)OC
InChIInChI=1S/C15H22N2O7S2/c1-4-5-6-10(14(19)23-2)17-12(18)9-16-26(21,22)11-7-8-25-13(11)15(20)24-3/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWOULMNVZYMEPIZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP0.66
Rot. Bonds10

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

methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 3699579) has the molecular formula C15H22N2O7S2 and a molecular weight of 406.48 g/mol. Its IUPAC name is methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID3699579
Molecular FormulaC15H22N2O7S2
Molecular Weight406.48 g/mol
Exact Mass406.09
IUPAC Namemethyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCC(NC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC)C(=O)OC
InChIInChI=1S/C15H22N2O7S2/c1-4-5-6-10(14(19)23-2)17-12(18)9-16-26(21,22)11-7-8-25-13(11)15(20)24-3/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyWOULMNVZYMEPIZ-UHFFFAOYSA-N
XLogP0.66
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3476036
(2S)-2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]hexanoic acid
CID 104934657
methyl 2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]hexanoate
CID 3760299
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
methyl 3-(hexylsulfamoyl)thiophene-2-carboxylate;molecular hydrogen;propane
CID 142506326
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 43631169
methyl 2-[[2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]acetyl]amino]hexanoate
CID 3865702
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfamoyl]thiophene-2-carboxylate
CID 18148291
methyl 3-[[2-(butylamino)-5-sulfamoylphenyl]sulfamoyl]thiophene-2-carboxylate
CID 55488459

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate (CID 3699579) is methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate is CCCCC(NC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC)C(=O)OC.
What is the InChIKey of methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is WOULMNVZYMEPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7S2/c1-4-5-6-10(14(19)23-2)17-12(18)9-16-26(21,22)11-7-8-25-13(11)15(20)24-3/h7-8,10,16H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 0.66, 10 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-1-oxohexan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 3699579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).