N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

C22H24N4O2S — CID 24651805

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2ncc(-c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-14-10-11-18(15(2)12-14)24-21(28)25-20(27)16(3)29-22-23-13-19(26(22)4)17-8-6-5-7-9-17/h5-13,16H,1-4H3,(H2,24,25,27,28)
InChIKeyDEGLBIUJIWFCMD-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.53
Rot. Bonds5

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 24651805) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID24651805
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2ncc(-c3ccccc3)n2C)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-14-10-11-18(15(2)12-14)24-21(28)25-20(27)16(3)29-22-23-13-19(26(22)4)17-8-6-5-7-9-17/h5-13,16H,1-4H3,(H2,24,25,27,28)
InChIKeyDEGLBIUJIWFCMD-UHFFFAOYSA-N
XLogP4.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide 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-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 46529920
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 134038781
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24651656
N-(2,4-dimethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51234940
(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 40510794
(2S)-2-[5-(4-bromophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 40656888
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43046742
1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577917
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24651668
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 24651011
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 112815810
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670366

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (CID 24651805) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is Cc1ccc(NC(=O)NC(=O)C(C)Sc2ncc(-c3ccccc3)n2C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is DEGLBIUJIWFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-10-11-18(15(2)12-14)24-21(28)25-20(27)16(3)29-22-23-13-19(26(22)4)17-8-6-5-7-9-17/h5-13,16H,1-4H3,(H2,24,25,27,28).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 408.53 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 24651805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).