2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid

C15H23NO3S — CID 79793352

IUPAC2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCCc1sc(C(=O)NC(C)(CC)C(=O)O)cc1CC
InChIInChI=1S/C15H23NO3S/c1-5-8-11-10(6-2)9-12(20-11)13(17)16-15(4,7-3)14(18)19/h9H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHGVVKRJDPMYLAS-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.25
Rot. Bonds7

About 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid

2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79793352) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79793352
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCCCc1sc(C(=O)NC(C)(CC)C(=O)O)cc1CC
InChIInChI=1S/C15H23NO3S/c1-5-8-11-10(6-2)9-12(20-11)13(17)16-15(4,7-3)14(18)19/h9H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyHGVVKRJDPMYLAS-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792186
1-tert-butyl-3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]thiourea
CID 9425746
4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide
CID 106353194
4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
CID 81042466
(2S)-4-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834625
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
4-bromo-N-(2-methylbutan-2-yl)-5-propylthiophene-2-carboxamide
CID 17374379
2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 120518486
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
CID 79792816
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
CID 60656066
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid (CID 79793352) is 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid is CCCc1sc(C(=O)NC(C)(CC)C(=O)O)cc1CC.
What is the InChIKey of 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is HGVVKRJDPMYLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-8-11-10(6-2)9-12(20-11)13(17)16-15(4,7-3)14(18)19/h9H,5-8H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid?
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 297.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79793352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).