2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide

C19H18Cl2N4OS — CID 56520301

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
SMILESCc1nc(C(NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2)n[nH]1
InChIInChI=1S/C19H18Cl2N4OS/c1-12-22-19(25-24-12)18(13-5-3-2-4-6-13)23-17(26)11-27-10-14-7-8-15(20)9-16(14)21/h2-9,18H,10-11H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyYCTOBANJUSCMSY-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.56
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide (PubChem CID 56520301) has the molecular formula C19H18Cl2N4OS and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
PubChem CID56520301
Molecular FormulaC19H18Cl2N4OS
Molecular Weight421.35 g/mol
Exact Mass420.06
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
SMILESCc1nc(C(NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2)n[nH]1
InChIInChI=1S/C19H18Cl2N4OS/c1-12-22-19(25-24-12)18(13-5-3-2-4-6-13)23-17(26)11-27-10-14-7-8-15(20)9-16(14)21/h2-9,18H,10-11H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyYCTOBANJUSCMSY-UHFFFAOYSA-N
XLogP4.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]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

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 134058084
2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225359
2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
CID 95330709
1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide
CID 56518904
N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 52523628
1,5-dimethyl-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]pyrrole-2-carboxamide
CID 95334382
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875190
1-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea
CID 56556660
N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 132667716
5-bromo-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]pyridine-3-carboxamide
CID 94746964
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 99824628
ethyl 2-[(2,4-dichlorophenyl)methylsulfanyl]acetate
CID 5128433

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide (CID 56520301) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide is Cc1nc(C(NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
The InChIKey is YCTOBANJUSCMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4OS/c1-12-22-19(25-24-12)18(13-5-3-2-4-6-13)23-17(26)11-27-10-14-7-8-15(20)9-16(14)21/h2-9,18H,10-11H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide has a molecular weight of 421.35 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 56520301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).