3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid

C16H15F2NO4S — CID 119221199

IUPAC3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H15F2NO4S/c1-9(8-14(20)21)19-15(22)13-7-6-12(24-13)10-2-4-11(5-3-10)23-16(17)18/h2-7,9,16H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyQRQICHXIVBKICY-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.61
Rot. Bonds7

About 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid

3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid (PubChem CID 119221199) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
PubChem CID119221199
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Name3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H15F2NO4S/c1-9(8-14(20)21)19-15(22)13-7-6-12(24-13)10-2-4-11(5-3-10)23-16(17)18/h2-7,9,16H,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyQRQICHXIVBKICY-UHFFFAOYSA-N
XLogP3.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide
CID 119584154
4-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173095
5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
CID 54562446
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
CID 24658856
[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119468773
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide
CID 16561484
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
5-(6-amino-3-pyridinyl)-N-propan-2-ylthiophene-2-carboxamide
CID 151586572
2-[[5-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-carbonyl]amino]acetic acid
CID 167771866

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid (CID 119221199) is 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid?
The InChIKey is QRQICHXIVBKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-9(8-14(20)21)19-15(22)13-7-6-12(24-13)10-2-4-11(5-3-10)23-16(17)18/h2-7,9,16H,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid?
3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid has a molecular weight of 355.36 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119221199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).