N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

C23H25ClN4O2S — CID 3631812

IUPACN-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1c(OCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)ccc2c1CCCC2
InChIInChI=1S/C23H25ClN4O2S/c1-15-17-8-4-3-7-16(17)11-12-20(15)30-13-21-26-27-23(28(21)2)31-14-22(29)25-19-10-6-5-9-18(19)24/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3,(H,25,29)
InChIKeyCOWCGWANLJXHFT-UHFFFAOYSA-N
MW457.00 g/mol
LogP4.97
Rot. Bonds7

About N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 3631812) has the molecular formula C23H25ClN4O2S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID3631812
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.00 g/mol
Exact Mass456.14
IUPAC NameN-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1c(OCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)ccc2c1CCCC2
InChIInChI=1S/C23H25ClN4O2S/c1-15-17-8-4-3-7-16(17)11-12-20(15)30-13-21-26-27-23(28(21)2)31-14-22(29)25-19-10-6-5-9-18(19)24/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3,(H,25,29)
InChIKeyCOWCGWANLJXHFT-UHFFFAOYSA-N
XLogP4.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1176616
N-(2-chlorophenyl)-2-[[5-[(2,4-dichlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19632963
N-(2,3-dichlorophenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21166218
2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 17305507
2-[[5-[(2-chloro-4-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 19633865
2-[[5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 4537377
2-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-chlorophenyl)acetamide
CID 4555270
2-[[4-methyl-5-[(1-methylnaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 126362766
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 21166234
2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 17305168
methyl 2-[[2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 1149297
2-[[5-[(2,5-dichlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dichlorophenyl)acetamide
CID 17266220

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 3631812) is N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1c(OCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)ccc2c1CCCC2.
What is the InChIKey of N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is COWCGWANLJXHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2S/c1-15-17-8-4-3-7-16(17)11-12-20(15)30-13-21-26-27-23(28(21)2)31-14-22(29)25-19-10-6-5-9-18(19)24/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[4-methyl-5-[(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 3631812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).