N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C18H25N3OS — CID 23849471

IUPACN-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)C1CCCCC1
InChIInChI=1S/C18H25N3OS/c1-3-21(14-7-5-4-6-8-14)17(22)12-23-18-19-15-10-9-13(2)11-16(15)20-18/h9-11,14H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyDREYZAAMNYZRDV-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.14
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 23849471) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID23849471
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC NameN-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)C1CCCCC1
InChIInChI=1S/C18H25N3OS/c1-3-21(14-7-5-4-6-8-14)17(22)12-23-18-19-15-10-9-13(2)11-16(15)20-18/h9-11,14H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyDREYZAAMNYZRDV-UHFFFAOYSA-N
XLogP4.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]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,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4817976
N-[(2R)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7247491
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 9198159
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2087301
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 9198018
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 9198117
N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
CID 23791491
ethyl N-[2-[ethyl-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]acetyl]carbamate
CID 9197989
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
CID 65214051

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 23849471) is N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is DREYZAAMNYZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-3-21(14-7-5-4-6-8-14)17(22)12-23-18-19-15-10-9-13(2)11-16(15)20-18/h9-11,14H,3-8,12H2,1-2H3,(H,19,20).
What are the key properties of N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 331.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 23849471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).