N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide

C21H25N3OS — CID 55498030

IUPACN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C21H25N3OS/c1-24-7-6-22-21(24)26-18-4-2-17(3-5-18)23-20(25)19-15-9-13-8-14(11-15)12-16(19)10-13/h2-7,13-16,19H,8-12H2,1H3,(H,23,25)
InChIKeyYKJJUJMVWVQWIH-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.58
Rot. Bonds4

About N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide (PubChem CID 55498030) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
PubChem CID55498030
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C21H25N3OS/c1-24-7-6-22-21(24)26-18-4-2-17(3-5-18)23-20(25)19-15-9-13-8-14(11-15)12-16(19)10-13/h2-7,13-16,19H,8-12H2,1H3,(H,23,25)
InChIKeyYKJJUJMVWVQWIH-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-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

3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119698990
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 119698985
2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 55497102
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 120920606
1-(3,5-dimethoxybenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]piperidine-4-carboxamide
CID 55721837
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
CID 55490455
1-(3,5-dichlorobenzoyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-2-carboxamide
CID 55607785
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55497099
N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide
CID 100723086

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide (CID 55498030) is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide is Cn1ccnc1Sc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide?
The InChIKey is YKJJUJMVWVQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-24-7-6-22-21(24)26-18-4-2-17(3-5-18)23-20(25)19-15-9-13-8-14(11-15)12-16(19)10-13/h2-7,13-16,19H,8-12H2,1H3,(H,23,25).
What are the key properties of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide?
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide is sourced from PubChem (CID 55498030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).