3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide

C11H19N3O4S2 — CID 103432214

IUPAC3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCCS(C)(=O)=O)c(OC)c1N
InChIInChI=1S/C11H19N3O4S2/c1-4-13-10(15)9-7(12)8(18-2)11(19-9)14-5-6-20(3,16)17/h14H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyCXGOBANQHGAGTC-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.55
Rot. Bonds7

About 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide

3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide (PubChem CID 103432214) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
PubChem CID103432214
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCCS(C)(=O)=O)c(OC)c1N
InChIInChI=1S/C11H19N3O4S2/c1-4-13-10(15)9-7(12)8(18-2)11(19-9)14-5-6-20(3,16)17/h14H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyCXGOBANQHGAGTC-UHFFFAOYSA-N
XLogP0.55
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-4-methoxy-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425603
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide (CID 103432214) is 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide is CCNC(=O)c1sc(NCCS(C)(=O)=O)c(OC)c1N.
What is the InChIKey of 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
The InChIKey is CXGOBANQHGAGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-4-13-10(15)9-7(12)8(18-2)11(19-9)14-5-6-20(3,16)17/h14H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide?
3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103432214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).