3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide

C14H24N4O2S — CID 103420533

IUPAC3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
SMILESCCCCN(CC)c1sc(C(=O)N(C)C)c(N)c1C(N)=O
InChIInChI=1S/C14H24N4O2S/c1-5-7-8-18(6-2)14-9(12(16)19)10(15)11(21-14)13(20)17(3)4/h5-8,15H2,1-4H3,(H2,16,19)
InChIKeyBSEHYUQJGWCMAO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.76
Rot. Bonds7

About 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide

3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide (PubChem CID 103420533) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
PubChem CID103420533
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
SMILESCCCCN(CC)c1sc(C(=O)N(C)C)c(N)c1C(N)=O
InChIInChI=1S/C14H24N4O2S/c1-5-7-8-18(6-2)14-9(12(16)19)10(15)11(21-14)13(20)17(3)4/h5-8,15H2,1-4H3,(H2,16,19)
InChIKeyBSEHYUQJGWCMAO-UHFFFAOYSA-N
XLogP1.76
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide (CID 103420533) is 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide is CCCCN(CC)c1sc(C(=O)N(C)C)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
The InChIKey is BSEHYUQJGWCMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-7-8-18(6-2)14-9(12(16)19)10(15)11(21-14)13(20)17(3)4/h5-8,15H2,1-4H3,(H2,16,19).
What are the key properties of 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide?
3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[butyl(ethyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103420533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).