N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide

C22H20ClN3O2S — CID 41181024

IUPACN'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O2S/c23-16-6-3-7-17(13-16)25-22(28)21(27)24-14-19(20-9-4-12-29-20)26-11-10-15-5-1-2-8-18(15)26/h1-9,12-13,19H,10-11,14H2,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyRQTSEBJXMJJJES-LJQANCHMSA-N
MW425.94 g/mol
LogP4.26
Rot. Bonds5

About N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide

N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide (PubChem CID 41181024) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
PubChem CID41181024
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O2S/c23-16-6-3-7-17(13-16)25-22(28)21(27)24-14-19(20-9-4-12-29-20)26-11-10-15-5-1-2-8-18(15)26/h1-9,12-13,19H,10-11,14H2,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyRQTSEBJXMJJJES-LJQANCHMSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 41181059
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(3-methoxyphenyl)oxamide
CID 18577792
N'-(2-chlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 18577798
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 41181049
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 7179487
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 7179544
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7179412
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 41181020
4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 7179316
N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 30717974
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxyphenyl)oxamide
CID 7179549

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide (CID 41181024) is N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide is O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide?
The InChIKey is RQTSEBJXMJJJES-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c23-16-6-3-7-17(13-16)25-22(28)21(27)24-14-19(20-9-4-12-29-20)26-11-10-15-5-1-2-8-18(15)26/h1-9,12-13,19H,10-11,14H2,(H,24,27)(H,25,28)/t19-/m1/s1.
What are the key properties of N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide?
N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide has a molecular weight of 425.94 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 41181024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).