3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide

C11H19N3O3S2 — CID 103423807

IUPAC3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(NCC(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C11H19N3O3S2/c1-4-19(16,17)9-7(12)8(10(13)15)18-11(9)14-5-6(2)3/h6,14H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyRINMLUYOBJHGAD-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.29
Rot. Bonds6

About 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide

3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide (PubChem CID 103423807) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
PubChem CID103423807
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide
SMILESCCS(=O)(=O)c1c(NCC(C)C)sc(C(N)=O)c1N
InChIInChI=1S/C11H19N3O3S2/c1-4-19(16,17)9-7(12)8(10(13)15)18-11(9)14-5-6(2)3/h6,14H,4-5,12H2,1-3H3,(H2,13,15)
InChIKeyRINMLUYOBJHGAD-UHFFFAOYSA-N
XLogP1.29
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide (CID 103423807) is 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide is CCS(=O)(=O)c1c(NCC(C)C)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
The InChIKey is RINMLUYOBJHGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-4-19(16,17)9-7(12)8(10(13)15)18-11(9)14-5-6(2)3/h6,14H,4-5,12H2,1-3H3,(H2,13,15).
What are the key properties of 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide?
3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylsulfonyl-5-(2-methylpropylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103423807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).