N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide

C23H30N4O2S — CID 24573945

IUPACN-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C)c(C)n2CC2CCCO2)c1
InChIInChI=1S/C23H30N4O2S/c1-16-11-17(2)13-20(12-16)26(9-6-8-24)22(28)15-30-23-25-18(3)19(4)27(23)14-21-7-5-10-29-21/h11-13,21H,5-7,9-10,14-15H2,1-4H3
InChIKeyDAAKAHUJNNINLC-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.33
Rot. Bonds8

About N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide

N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 24573945) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID24573945
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C)c(C)n2CC2CCCO2)c1
InChIInChI=1S/C23H30N4O2S/c1-16-11-17(2)13-20(12-16)26(9-6-8-24)22(28)15-30-23-25-18(3)19(4)27(23)14-21-7-5-10-29-21/h11-13,21H,5-7,9-10,14-15H2,1-4H3
InChIKeyDAAKAHUJNNINLC-UHFFFAOYSA-N
XLogP4.33
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)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-benzyl-2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 41473395
2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17447645
N-(2-cyanoethyl)-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 51329460
2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-1-(2-methoxyphenyl)ethanone
CID 25348283
N,N-bis(2-cyanoethyl)-2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55323089
2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 93255820
2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 17481216
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 4811716
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510943
2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 25341684
2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 31876581
N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 55546658

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide (CID 24573945) is N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C)c(C)n2CC2CCCO2)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is DAAKAHUJNNINLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-16-11-17(2)13-20(12-16)26(9-6-8-24)22(28)15-30-23-25-18(3)19(4)27(23)14-21-7-5-10-29-21/h11-13,21H,5-7,9-10,14-15H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide?
N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 426.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 24573945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).