2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

C12H15N3O5S4 — CID 18230583

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(S(N)(=O)=O)s1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H15N3O5S4/c1-15(24(19,20)11-3-2-6-21-11)8-10(16)14-7-9-4-5-12(22-9)23(13,17)18/h2-6H,7-8H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyGRYMOGOFNQLMDD-UHFFFAOYSA-N
MW409.54 g/mol
LogP0.39
Rot. Bonds7

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (PubChem CID 18230583) has the molecular formula C12H15N3O5S4 and a molecular weight of 409.54 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
PubChem CID18230583
Molecular FormulaC12H15N3O5S4
Molecular Weight409.54 g/mol
Exact Mass408.99
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(S(N)(=O)=O)s1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H15N3O5S4/c1-15(24(19,20)11-3-2-6-21-11)8-10(16)14-7-9-4-5-12(22-9)23(13,17)18/h2-6H,7-8H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyGRYMOGOFNQLMDD-UHFFFAOYSA-N
XLogP0.39
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009
N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115643486
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55489731

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide (CID 18230583) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is CN(CC(=O)NCc1ccc(S(N)(=O)=O)s1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
The InChIKey is GRYMOGOFNQLMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S4/c1-15(24(19,20)11-3-2-6-21-11)8-10(16)14-7-9-4-5-12(22-9)23(13,17)18/h2-6H,7-8H2,1H3,(H,14,16)(H2,13,17,18).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide has a molecular weight of 409.54 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 18230583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).