N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C21H23N3OS — CID 134028989

IUPACN-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1C(C)NC(=O)CSc1nccn1-c1ccccc1C
InChIInChI=1S/C21H23N3OS/c1-15-8-4-6-10-18(15)17(3)23-20(25)14-26-21-22-12-13-24(21)19-11-7-5-9-16(19)2/h4-13,17H,14H2,1-3H3,(H,23,25)
InChIKeyXFPJEYBHIMUGRQ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.46
Rot. Bonds6

About N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 134028989) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID134028989
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1C(C)NC(=O)CSc1nccn1-c1ccccc1C
InChIInChI=1S/C21H23N3OS/c1-15-8-4-6-10-18(15)17(3)23-20(25)14-26-21-22-12-13-24(21)19-11-7-5-9-16(19)2/h4-13,17H,14H2,1-3H3,(H,23,25)
InChIKeyXFPJEYBHIMUGRQ-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide 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-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18287729
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298
N-[(1R)-1-(2-methylphenyl)ethyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40820149
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41042053
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55471800

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 134028989) is N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccccc1C(C)NC(=O)CSc1nccn1-c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is XFPJEYBHIMUGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-8-4-6-10-18(15)17(3)23-20(25)14-26-21-22-12-13-24(21)19-11-7-5-9-16(19)2/h4-13,17H,14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 134028989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).