methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate

C17H20N2O7S3 — CID 16621838

IUPACmethyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C17H20N2O7S3/c1-25-17(20)13-2-5-15(6-3-13)28(21,22)18-12-14-4-7-16(27-14)29(23,24)19-8-10-26-11-9-19/h2-7,18H,8-12H2,1H3
InChIKeyKLVPULMULRSUCY-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.03
Rot. Bonds7

About methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate

methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate (PubChem CID 16621838) has the molecular formula C17H20N2O7S3 and a molecular weight of 460.56 g/mol. Its IUPAC name is methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate
PubChem CID16621838
Molecular FormulaC17H20N2O7S3
Molecular Weight460.56 g/mol
Exact Mass460.04
IUPAC Namemethyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C17H20N2O7S3/c1-25-17(20)13-2-5-15(6-3-13)28(21,22)18-12-14-4-7-16(27-14)29(23,24)19-8-10-26-11-9-19/h2-7,18H,8-12H2,1H3
InChIKeyKLVPULMULRSUCY-UHFFFAOYSA-N
XLogP1.03
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate with MolForge

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Related Compounds

4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
CID 16582822
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 41322063
methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
CID 25469683
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 42908172
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
CID 28632468
4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 28563195
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 55491832

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate (CID 16621838) is methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate?
The InChIKey is KLVPULMULRSUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O7S3/c1-25-17(20)13-2-5-15(6-3-13)28(21,22)18-12-14-4-7-16(27-14)29(23,24)19-8-10-26-11-9-19/h2-7,18H,8-12H2,1H3.
What are the key properties of methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate?
methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate has a molecular weight of 460.56 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate is sourced from PubChem (CID 16621838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).