N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide

C21H25NO2S2 — CID 121170078

IUPACN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC(O)(c1ccsc1)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25NO2S2/c23-19(20-9-14-6-15(10-20)8-16(7-14)11-20)22-13-21(24,17-3-5-25-12-17)18-2-1-4-26-18/h1-5,12,14-16,24H,6-11,13H2,(H,22,23)
InChIKeyRHAGSLNMRLJRJX-UHFFFAOYSA-N
MW387.57 g/mol
LogP4.38
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide (PubChem CID 121170078) has the molecular formula C21H25NO2S2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
PubChem CID121170078
Molecular FormulaC21H25NO2S2
Molecular Weight387.57 g/mol
Exact Mass387.13
IUPAC NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC(O)(c1ccsc1)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25NO2S2/c23-19(20-9-14-6-15(10-20)8-16(7-14)11-20)22-13-21(24,17-3-5-25-12-17)18-2-1-4-26-18/h1-5,12,14-16,24H,6-11,13H2,(H,22,23)
InChIKeyRHAGSLNMRLJRJX-UHFFFAOYSA-N
XLogP4.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide 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-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide
CID 121170158
3-cyclohexyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)propanamide
CID 121170042
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124759456
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875177
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124875855

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide (CID 121170078) is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide is O=C(NCC(O)(c1ccsc1)c1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide?
The InChIKey is RHAGSLNMRLJRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S2/c23-19(20-9-14-6-15(10-20)8-16(7-14)11-20)22-13-21(24,17-3-5-25-12-17)18-2-1-4-26-18/h1-5,12,14-16,24H,6-11,13H2,(H,22,23).
What are the key properties of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide?
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 121170078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).