3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide

C11H18N4O4S2 — CID 103432242

IUPAC3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NCCS(C)(=O)=O)c(C(=O)NC)c1N
InChIInChI=1S/C11H18N4O4S2/c1-13-9(16)6-7(12)8(10(17)14-2)20-11(6)15-4-5-21(3,18)19/h15H,4-5,12H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyGILHKPJIAKOJFC-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.49
Rot. Bonds6

About 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide

3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide (PubChem CID 103432242) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
PubChem CID103432242
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC Name3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1sc(NCCS(C)(=O)=O)c(C(=O)NC)c1N
InChIInChI=1S/C11H18N4O4S2/c1-13-9(16)6-7(12)8(10(17)14-2)20-11(6)15-4-5-21(3,18)19/h15H,4-5,12H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyGILHKPJIAKOJFC-UHFFFAOYSA-N
XLogP-0.49
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183
ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
CID 103427267
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607
3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432214
3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide
CID 103426938

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide (CID 103432242) is 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide is CNC(=O)c1sc(NCCS(C)(=O)=O)c(C(=O)NC)c1N.
What is the InChIKey of 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
The InChIKey is GILHKPJIAKOJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-13-9(16)6-7(12)8(10(17)14-2)20-11(6)15-4-5-21(3,18)19/h15H,4-5,12H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of -0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103432242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).