N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

C20H18ClN5OS — CID 6403233

IUPACN-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)nnc3c2c1
InChIInChI=1S/C20H18ClN5OS/c1-10-6-12(3)17-14(7-10)18-19(23-17)24-20(26-25-18)28-9-16(27)22-13-5-4-11(2)15(21)8-13/h4-8H,9H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeyRVLBRGCVTYVAPF-UHFFFAOYSA-N
MW411.92 g/mol
LogP4.82
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (PubChem CID 6403233) has the molecular formula C20H18ClN5OS and a molecular weight of 411.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
PubChem CID6403233
Molecular FormulaC20H18ClN5OS
Molecular Weight411.92 g/mol
Exact Mass411.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)nnc3c2c1
InChIInChI=1S/C20H18ClN5OS/c1-10-6-12(3)17-14(7-10)18-19(23-17)24-20(26-25-18)28-9-16(27)22-13-5-4-11(2)15(21)8-13/h4-8H,9H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeyRVLBRGCVTYVAPF-UHFFFAOYSA-N
XLogP4.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.92
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-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

N-(3-chloro-4-methylphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 6411063
N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 6402949
2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N,N-diphenylacetamide
CID 6403232
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
3-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
CID 7431127
N-(3-fluoro-4-methylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6413845
N-(3,5-dimethylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 8917103
3-[(2,4-dichlorophenyl)methylsulfanyl]-6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6411049
N-(2-chlorophenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 43813210
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 6403909
6,8-dimethyl-3-prop-2-enylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6407471
ethyl (2S)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
CID 6401497

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CID 6403233) is N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)nnc3c2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The InChIKey is RVLBRGCVTYVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5OS/c1-10-6-12(3)17-14(7-10)18-19(23-17)24-20(26-25-18)28-9-16(27)22-13-5-4-11(2)15(21)8-13/h4-8H,9H2,1-3H3,(H,22,27)(H,23,24,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has a molecular weight of 411.92 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6403233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).