2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide

C28H25N3OS — CID 144668185

IUPAC2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide
SMILESCc1nc(-c2ccccc2)c(C(Cc2ccccc2)NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C28H25N3OS/c1-19-30-27(21-12-6-3-7-13-21)28(33-19)25(16-20-10-4-2-5-11-20)31-26(32)17-22-18-29-24-15-9-8-14-23(22)24/h2-15,18,25,29H,16-17H2,1H3,(H,31,32)
InChIKeyNRFHBLYMAGMKLF-UHFFFAOYSA-N
MW451.60 g/mol
LogP6.24
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide

2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide (PubChem CID 144668185) has the molecular formula C28H25N3OS and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide
PubChem CID144668185
Molecular FormulaC28H25N3OS
Molecular Weight451.60 g/mol
Exact Mass451.17
IUPAC Name2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide
SMILESCc1nc(-c2ccccc2)c(C(Cc2ccccc2)NC(=O)Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C28H25N3OS/c1-19-30-27(21-12-6-3-7-13-21)28(33-19)25(16-20-10-4-2-5-11-20)31-26(32)17-22-18-29-24-15-9-8-14-23(22)24/h2-15,18,25,29H,16-17H2,1H3,(H,31,32)
InChIKeyNRFHBLYMAGMKLF-UHFFFAOYSA-N
XLogP6.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.60
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
N-benzyl-2-(1H-indol-3-yl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
CID 10272736
(2S)-N-(1H-benzimidazol-2-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 162676163
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934
3-(1H-indol-3-yl)-2-[(2-phenylethanethioyl)amino]propanoic acid
CID 88772497
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
N-[1-[5-[1-amino-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-phenylethyl]acetamide
CID 77460849
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide (CID 144668185) is 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide is Cc1nc(-c2ccccc2)c(C(Cc2ccccc2)NC(=O)Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide?
The InChIKey is NRFHBLYMAGMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3OS/c1-19-30-27(21-12-6-3-7-13-21)28(33-19)25(16-20-10-4-2-5-11-20)31-26(32)17-22-18-29-24-15-9-8-14-23(22)24/h2-15,18,25,29H,16-17H2,1H3,(H,31,32).
What are the key properties of 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide?
2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide has a molecular weight of 451.60 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 144668185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).