(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide

C28H23N3O3S — CID 24509005

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide
SMILESCc1nc(-c2ccc(CNC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cs1
InChIInChI=1S/C28H23N3O3S/c1-18-30-24(17-35-18)21-13-11-20(12-14-21)16-29-26(32)25(15-19-7-3-2-4-8-19)31-27(33)22-9-5-6-10-23(22)28(31)34/h2-14,17,25H,15-16H2,1H3,(H,29,32)/t25-/m0/s1
InChIKeyGWHJLAUPSGGTBF-VWLOTQADSA-N
MW481.58 g/mol
LogP4.64
Rot. Bonds7

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide (PubChem CID 24509005) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide
PubChem CID24509005
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide
SMILESCc1nc(-c2ccc(CNC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cs1
InChIInChI=1S/C28H23N3O3S/c1-18-30-24(17-35-18)21-13-11-20(12-14-21)16-29-26(32)25(15-19-7-3-2-4-8-19)31-27(33)22-9-5-6-10-23(22)28(31)34/h2-14,17,25H,15-16H2,1H3,(H,29,32)/t25-/m0/s1
InChIKeyGWHJLAUPSGGTBF-VWLOTQADSA-N
XLogP4.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenylpropanamide
CID 108760210
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 4005296
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19177049
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19177050
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797864
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2487274
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
(2S)-N-benzyl-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2380507
(2S)-2-(benzenesulfonamido)-3-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]butanamide
CID 24513892
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19197245
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 2787785

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide (CID 24509005) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide is Cc1nc(-c2ccc(CNC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2)cs1.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide?
The InChIKey is GWHJLAUPSGGTBF-VWLOTQADSA-N. The full InChI is InChI=1S/C28H23N3O3S/c1-18-30-24(17-35-18)21-13-11-20(12-14-21)16-29-26(32)25(15-19-7-3-2-4-8-19)31-27(33)22-9-5-6-10-23(22)28(31)34/h2-14,17,25H,15-16H2,1H3,(H,29,32)/t25-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide has a molecular weight of 481.58 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 24509005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).