(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid

C17H17NO4S — CID 70554504

IUPAC(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid
SMILESO=C(O)CCC(=O)[C@@H](Cc1ccsc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S/c19-15(6-7-16(20)21)14(10-12-8-9-23-11-12)18-17(22)13-4-2-1-3-5-13/h1-5,8-9,11,14H,6-7,10H2,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyLYLYWCGPHKHECP-CQSZACIVSA-N
MW331.39 g/mol
LogP2.52
Rot. Bonds8

About (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid

(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid (PubChem CID 70554504) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid.

Molecular Properties

Compound Name(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid
PubChem CID70554504
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid
SMILESO=C(O)CCC(=O)[C@@H](Cc1ccsc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S/c19-15(6-7-16(20)21)14(10-12-8-9-23-11-12)18-17(22)13-4-2-1-3-5-13/h1-5,8-9,11,14H,6-7,10H2,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyLYLYWCGPHKHECP-CQSZACIVSA-N
XLogP2.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-benzamido-5-carboxy-3-oxopentyl]benzoic acid
CID 70519317
methyl 5-benzamido-4-oxo-6-phenylhexanoate
CID 12854251
2-[(4-tert-butylbenzoyl)amino]-3-thiophen-3-ylpropanoic acid
CID 163988488
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
(5S)-5-benzamido-4-oxohexanoic acid
CID 129362331
3-[1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]oxycyclohexyl]propanoic acid
CID 70079005
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
(2S)-2-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]oxy-3-(dimethylamino)propanoic acid
CID 54354647

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid?
The IUPAC name of (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid (CID 70554504) is (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid.
What is the SMILES notation for (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid?
The canonical SMILES for (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid is O=C(O)CCC(=O)[C@@H](Cc1ccsc1)NC(=O)c1ccccc1.
What is the InChIKey of (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid?
The InChIKey is LYLYWCGPHKHECP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17NO4S/c19-15(6-7-16(20)21)14(10-12-8-9-23-11-12)18-17(22)13-4-2-1-3-5-13/h1-5,8-9,11,14H,6-7,10H2,(H,18,22)(H,20,21)/t14-/m1/s1.
What are the key properties of (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid?
(5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid has a molecular weight of 331.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzamido-4-oxo-6-thiophen-3-ylhexanoic acid is sourced from PubChem (CID 70554504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).