N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide

C16H25N3OS — CID 23791491

IUPACN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc(C)cc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3OS/c1-4-19(14-8-6-5-7-9-14)15(20)11-21-16-17-12(2)10-13(3)18-16/h10,14H,4-9,11H2,1-3H3
InChIKeyKFJSZGKLZKNSSP-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.37
Rot. Bonds5

About N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide

N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide (PubChem CID 23791491) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
PubChem CID23791491
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc(C)cc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3OS/c1-4-19(14-8-6-5-7-9-14)15(20)11-21-16-17-12(2)10-13(3)18-16/h10,14H,4-9,11H2,1-3H3
InChIKeyKFJSZGKLZKNSSP-UHFFFAOYSA-N
XLogP3.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide 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-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 23849471
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 51237138
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
CID 18130864
N-cyclohexyl-N-ethyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78764229
2-(3-amino-2-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 79128184
2-(2-amino-3-methylphenyl)sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 79130628
N-cyclopentyl-N-ethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 134060793
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 47143139
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
ethyl 4-amino-2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 1163095
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
The IUPAC name of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide (CID 23791491) is N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide is CCN(C(=O)CSc1nc(C)cc(C)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
The InChIKey is KFJSZGKLZKNSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-19(14-8-6-5-7-9-14)15(20)11-21-16-17-12(2)10-13(3)18-16/h10,14H,4-9,11H2,1-3H3.
What are the key properties of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide has a molecular weight of 307.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 23791491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).