N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide

C24H21ClN6OS — CID 21371571

IUPACN-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H21ClN6OS/c1-16-12-13-17(25)14-20(16)28-21(32)15-33-24-30-22(26-18-8-4-2-5-9-18)29-23(31-24)27-19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H,28,32)(H2,26,27,29,30,31)
InChIKeyZTFMHEJPEKWPNU-UHFFFAOYSA-N
MW476.99 g/mol
LogP6.05
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide

N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide (PubChem CID 21371571) has the molecular formula C24H21ClN6OS and a molecular weight of 476.99 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide
PubChem CID21371571
Molecular FormulaC24H21ClN6OS
Molecular Weight476.99 g/mol
Exact Mass476.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H21ClN6OS/c1-16-12-13-17(25)14-20(16)28-21(32)15-33-24-30-22(26-18-8-4-2-5-9-18)29-23(31-24)27-19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H,28,32)(H2,26,27,29,30,31)
InChIKeyZTFMHEJPEKWPNU-UHFFFAOYSA-N
XLogP6.05
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-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

2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 21371554
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 126397519
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
2-[[4,6-bis(4-methylanilino)-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 21371621
N-(5-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3979106
N-(5-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7996181
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
4-[3-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897066
N-(5-chloro-2-methylphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23961762
3-[5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylpropanamide
CID 3948856
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926921

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide (CID 21371571) is N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide is Cc1ccc(Cl)cc1NC(=O)CSc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The InChIKey is ZTFMHEJPEKWPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6OS/c1-16-12-13-17(25)14-20(16)28-21(32)15-33-24-30-22(26-18-8-4-2-5-9-18)29-23(31-24)27-19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H,28,32)(H2,26,27,29,30,31).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide has a molecular weight of 476.99 g/mol, XLogP of 6.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 21371571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).