5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid

C17H17NO4S — CID 122110752

IUPAC5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2OCC2CC2)s1
InChIInChI=1S/C17H17NO4S/c19-16(18-9-12-7-8-15(23-12)17(20)21)13-3-1-2-4-14(13)22-10-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,19)(H,20,21)
InChIKeyYAWBTJVJOHIUEG-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.17
Rot. Bonds7

About 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110752) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110752
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccccc2OCC2CC2)s1
InChIInChI=1S/C17H17NO4S/c19-16(18-9-12-7-8-15(23-12)17(20)21)13-3-1-2-4-14(13)22-10-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,19)(H,20,21)
InChIKeyYAWBTJVJOHIUEG-UHFFFAOYSA-N
XLogP3.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
2-bromo-1-[2-(cyclopropylmethoxy)phenyl]ethanone
CID 95927871
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 86877169
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
2-(cyclopropylmethoxy)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 155944356
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110260
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
CID 111451224
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid (CID 122110752) is 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2ccccc2OCC2CC2)s1.
What is the InChIKey of 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is YAWBTJVJOHIUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-16(18-9-12-7-8-15(23-12)17(20)21)13-3-1-2-4-14(13)22-10-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 331.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).