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

C11H18N4O4S2 — CID 103432232

IUPAC3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(NCCS(C)(=O)=O)c(C(N)=O)c1N
InChIInChI=1S/C11H18N4O4S2/c1-3-14-10(17)8-7(12)6(9(13)16)11(20-8)15-4-5-21(2,18)19/h15H,3-5,12H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyMVOWOFQXCPTCRC-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.36
Rot. Bonds7

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

3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide (PubChem CID 103432232) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
PubChem CID103432232
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC Name3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
SMILESCCNC(=O)c1sc(NCCS(C)(=O)=O)c(C(N)=O)c1N
InChIInChI=1S/C11H18N4O4S2/c1-3-14-10(17)8-7(12)6(9(13)16)11(20-8)15-4-5-21(2,18)19/h15H,3-5,12H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyMVOWOFQXCPTCRC-UHFFFAOYSA-N
XLogP-0.36
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432214
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
CID 103425822
3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423057
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
CID 64975341
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide (CID 103432232) is 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide is CCNC(=O)c1sc(NCCS(C)(=O)=O)c(C(N)=O)c1N.
What is the InChIKey of 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
The InChIKey is MVOWOFQXCPTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-3-14-10(17)8-7(12)6(9(13)16)11(20-8)15-4-5-21(2,18)19/h15H,3-5,12H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of -0.36, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103432232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).