3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide

C12H21N3O4S2 — CID 103508194

IUPAC3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCC(COC)Nc1sc(C(=O)NC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-5-7(6-19-3)15-12-10(21(4,17)18)8(13)9(20-12)11(16)14-2/h7,15H,5-6,13H2,1-4H3,(H,14,16)
InChIKeyLZBYLVPNKZSDFI-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.93
Rot. Bonds7

About 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide

3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide (PubChem CID 103508194) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
PubChem CID103508194
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC Name3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
SMILESCCC(COC)Nc1sc(C(=O)NC)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-5-7(6-19-3)15-12-10(21(4,17)18)8(13)9(20-12)11(16)14-2/h7,15H,5-6,13H2,1-4H3,(H,14,16)
InChIKeyLZBYLVPNKZSDFI-UHFFFAOYSA-N
XLogP0.93
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide (CID 103508194) is 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide is CCC(COC)Nc1sc(C(=O)NC)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
The InChIKey is LZBYLVPNKZSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-5-7(6-19-3)15-12-10(21(4,17)18)8(13)9(20-12)11(16)14-2/h7,15H,5-6,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide?
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 103508194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).