N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide

C30H33N3O2S — CID 23798816

IUPACN-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C30H33N3O2S/c34-26(18-31-28(35)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24)33-29-32-25(19-36-29)17-30-14-20-11-21(15-30)13-22(12-20)16-30/h1-10,19-22,27H,11-18H2,(H,31,35)(H,32,33,34)
InChIKeyDRGSHWCQCMUEGV-UHFFFAOYSA-N
MW499.68 g/mol
LogP5.79
Rot. Bonds8

About N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 23798816) has the molecular formula C30H33N3O2S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID23798816
Molecular FormulaC30H33N3O2S
Molecular Weight499.68 g/mol
Exact Mass499.23
IUPAC NameN-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C30H33N3O2S/c34-26(18-31-28(35)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24)33-29-32-25(19-36-29)17-30-14-20-11-21(15-30)13-22(12-20)16-30/h1-10,19-22,27H,11-18H2,(H,31,35)(H,32,33,34)
InChIKeyDRGSHWCQCMUEGV-UHFFFAOYSA-N
XLogP5.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.68
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide 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-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 23761117
N-[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
CID 23742184
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
N-[2-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108768191
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenylacetamide
CID 51315386
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
CID 7090694
N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide
CID 4916655
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 30192496
N-[3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 58965385
2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 4921109

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide (CID 23798816) is N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is DRGSHWCQCMUEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2S/c34-26(18-31-28(35)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24)33-29-32-25(19-36-29)17-30-14-20-11-21(15-30)13-22(12-20)16-30/h1-10,19-22,27H,11-18H2,(H,31,35)(H,32,33,34).
What are the key properties of N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 499.68 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(1-adamantylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 23798816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).