2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide

C14H23N3O2S — CID 18474073

IUPAC2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCN(CC)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C14H23N3O2S/c1-5-17(6-2)8-7-11(18)16-14-12(13(15)19)9(3)10(4)20-14/h5-8H2,1-4H3,(H2,15,19)(H,16,18)
InChIKeyBGOKWGRZAUWCEP-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.13
Rot. Bonds7

About 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide

2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 18474073) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID18474073
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCN(CC)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C14H23N3O2S/c1-5-17(6-2)8-7-11(18)16-14-12(13(15)19)9(3)10(4)20-14/h5-8H2,1-4H3,(H2,15,19)(H,16,18)
InChIKeyBGOKWGRZAUWCEP-UHFFFAOYSA-N
XLogP2.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
CID 7741576
2-[[2-[butyl(ethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28865616
ethyl 2-[3-(diethylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23799460
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108807071
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 829701
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108806511
ethyl 2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4688162
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
ethyl 2-(6-aminohexanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 61259644

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide (CID 18474073) is 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide is CCN(CC)CCC(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is BGOKWGRZAUWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-17(6-2)8-7-11(18)16-14-12(13(15)19)9(3)10(4)20-14/h5-8H2,1-4H3,(H2,15,19)(H,16,18).
What are the key properties of 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide?
2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 18474073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).