2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide

C22H18N2O3S — CID 51534415

IUPAC2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccs3)cc2C1=O
InChIInChI=1S/C22H18N2O3S/c1-13-6-3-4-7-18(13)24-21(26)16-10-9-15(12-17(16)22(24)27)20(25)23-14(2)19-8-5-11-28-19/h3-12,14H,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyFPMIWCNIRRVRLB-AWEZNQCLSA-N
MW390.46 g/mol
LogP4.35
Rot. Bonds4

About 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide

2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide (PubChem CID 51534415) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide
PubChem CID51534415
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccs3)cc2C1=O
InChIInChI=1S/C22H18N2O3S/c1-13-6-3-4-7-18(13)24-21(26)16-10-9-15(12-17(16)22(24)27)20(25)23-14(2)19-8-5-11-28-19/h3-12,14H,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyFPMIWCNIRRVRLB-AWEZNQCLSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 46485556
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
3-methyl-4-(methylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 63210486
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
2-(2-methylphenyl)-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46557209
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide (CID 51534415) is 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide is Cc1ccccc1N1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccs3)cc2C1=O.
What is the InChIKey of 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide?
The InChIKey is FPMIWCNIRRVRLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-13-6-3-4-7-18(13)24-21(26)16-10-9-15(12-17(16)22(24)27)20(25)23-14(2)19-8-5-11-28-19/h3-12,14H,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide?
2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,3-dioxo-N-[(1S)-1-thiophen-2-ylethyl]isoindole-5-carboxamide is sourced from PubChem (CID 51534415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).