5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid

C17H17NO3S — CID 122110260

IUPAC5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C(c2ccccc2)C2CC2)s1
InChIInChI=1S/C17H17NO3S/c19-16(18-10-13-8-9-14(22-13)17(20)21)15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15H,6-7,10H2,(H,18,19)(H,20,21)
InChIKeySYICLQMFYBOVLO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.26
Rot. Bonds6

About 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110260) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110260
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)C(c2ccccc2)C2CC2)s1
InChIInChI=1S/C17H17NO3S/c19-16(18-10-13-8-9-14(22-13)17(20)21)15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15H,6-7,10H2,(H,18,19)(H,20,21)
InChIKeySYICLQMFYBOVLO-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122110496
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CID 122110600
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
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5-[[(2-benzyl-3-methylbutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110574
5-[(2-cycloheptyloxypropanoylamino)methyl]thiophene-2-carboxylic acid
CID 122110467
5-[(2-phenylpropylamino)methyl]thiophene-2-carboxylic acid
CID 20890240
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72854905
5-[[(1-benzoylpiperidine-4-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110854
5-[[(2-methyl-4-phenoxybutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110538
5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 114009348

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid (CID 122110260) is 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)C(c2ccccc2)C2CC2)s1.
What is the InChIKey of 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is SYICLQMFYBOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-16(18-10-13-8-9-14(22-13)17(20)21)15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15H,6-7,10H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).