4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide

C12H19N3O4S2 — CID 103432192

IUPAC4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCCS(C)(=O)=O)c(C(=O)NC)c1N
InChIInChI=1S/C12H19N3O4S2/c1-4-7(16)10-9(13)8(11(17)14-2)12(20-10)15-5-6-21(3,18)19/h15H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyVLRCUGRUNWBGMG-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.74
Rot. Bonds7

About 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide

4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide (PubChem CID 103432192) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
PubChem CID103432192
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCCS(C)(=O)=O)c(C(=O)NC)c1N
InChIInChI=1S/C12H19N3O4S2/c1-4-7(16)10-9(13)8(11(17)14-2)12(20-10)15-5-6-21(3,18)19/h15H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyVLRCUGRUNWBGMG-UHFFFAOYSA-N
XLogP0.74
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607
4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
CID 103510041
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
CID 106412904
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
1-[3-amino-5-(butylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103425192
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide (CID 103432192) is 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide is CCC(=O)c1sc(NCCS(C)(=O)=O)c(C(=O)NC)c1N.
What is the InChIKey of 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide?
The InChIKey is VLRCUGRUNWBGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-4-7(16)10-9(13)8(11(17)14-2)12(20-10)15-5-6-21(3,18)19/h15H,4-6,13H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide?
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide is sourced from PubChem (CID 103432192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).