2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid

C15H23NO3S — CID 60827755

IUPAC2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid
SMILESCCCc1cc(C(=O)N(CC(=O)O)C(C)CC)sc1C
InChIInChI=1S/C15H23NO3S/c1-5-7-12-8-13(20-11(12)4)15(19)16(9-14(17)18)10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyMNYOPKCXDJOPRG-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.33
Rot. Bonds7

About 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid

2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 60827755) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid
PubChem CID60827755
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid
SMILESCCCc1cc(C(=O)N(CC(=O)O)C(C)CC)sc1C
InChIInChI=1S/C15H23NO3S/c1-5-7-12-8-13(20-11(12)4)15(19)16(9-14(17)18)10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyMNYOPKCXDJOPRG-UHFFFAOYSA-N
XLogP3.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid (CID 60827755) is 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid is CCCc1cc(C(=O)N(CC(=O)O)C(C)CC)sc1C.
What is the InChIKey of 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is MNYOPKCXDJOPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-7-12-8-13(20-11(12)4)15(19)16(9-14(17)18)10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 297.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 60827755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).