3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide

C12H21N3O4S2 — CID 103428640

IUPAC3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCOCCNc1sc(C(=O)N(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-5-19-7-6-14-11-10(21(4,17)18)8(13)9(20-11)12(16)15(2)3/h14H,5-7,13H2,1-4H3
InChIKeyVBQDGHCNFVJKKK-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.88
Rot. Bonds7

About 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103428640) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103428640
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCOCCNc1sc(C(=O)N(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-5-19-7-6-14-11-10(21(4,17)18)8(13)9(20-11)12(16)15(2)3/h14H,5-7,13H2,1-4H3
InChIKeyVBQDGHCNFVJKKK-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103428586
3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103427044
3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103423842
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
CID 103423168
1-[3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424294
methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
ethyl 3-amino-5-(3-methylbutylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425653
3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide
CID 103505774
3-amino-5-[ethyl(methyl)amino]-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103420941
1-[3-amino-5-(butylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103425192
1-[3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103506973

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide (CID 103428640) is 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide is CCOCCNc1sc(C(=O)N(C)C)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is VBQDGHCNFVJKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-5-19-7-6-14-11-10(21(4,17)18)8(13)9(20-11)12(16)15(2)3/h14H,5-7,13H2,1-4H3.
What are the key properties of 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103428640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).