3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide

C12H21N3O4S2 — CID 103526538

IUPAC3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCN(CCOC)c1sc(C(=O)NC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-5-15(6-7-19-3)12-10(21(4,17)18)8(13)9(20-12)11(16)14-2/h5-7,13H2,1-4H3,(H,14,16)
InChIKeyHDHHECDGXOFBBM-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.57
Rot. Bonds7

About 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103526538) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103526538
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCN(CCOC)c1sc(C(=O)NC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-5-15(6-7-19-3)12-10(21(4,17)18)8(13)9(20-12)11(16)14-2/h5-7,13H2,1-4H3,(H,14,16)
InChIKeyHDHHECDGXOFBBM-UHFFFAOYSA-N
XLogP0.57
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-methyl-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103417812
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
3-amino-5-(diethylamino)-N-ethyl-4-ethylsulfonylthiophene-2-carboxamide
CID 103419201
methyl 3-amino-5-(dimethylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103420197
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942
3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide
CID 103417671
3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
CID 103419175
3-amino-2-N-ethyl-5-[ethyl(propyl)amino]-4-N-methylthiophene-2,4-dicarboxamide
CID 103421012
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
methyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxylate
CID 103417847
1-[3-amino-5-(diethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103419200
ethyl 3-amino-5-(diethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103419240

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide (CID 103526538) is 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide is CCN(CCOC)c1sc(C(=O)NC)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is HDHHECDGXOFBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-5-15(6-7-19-3)12-10(21(4,17)18)8(13)9(20-12)11(16)14-2/h5-7,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103526538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).