N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide

C15H18ClN5O2S — CID 8988228

IUPACN-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
SMILESCCn1cnnc1SCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H18ClN5O2S/c1-3-21-10-17-19-15(21)24-9-14(23)20(2)8-13(22)18-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyYSKLBGLTFBCOPD-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.14
Rot. Bonds7

About N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide (PubChem CID 8988228) has the molecular formula C15H18ClN5O2S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
PubChem CID8988228
Molecular FormulaC15H18ClN5O2S
Molecular Weight367.86 g/mol
Exact Mass367.09
IUPAC NameN-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
SMILESCCn1cnnc1SCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H18ClN5O2S/c1-3-21-10-17-19-15(21)24-9-14(23)20(2)8-13(22)18-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyYSKLBGLTFBCOPD-UHFFFAOYSA-N
XLogP2.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 8988394
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
N-(2-chlorophenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 41404014
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 8987730
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9379488
2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 55426434
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 8987652
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-(4-chloro-2-fluorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8987716
N-(4-chloro-2-methylphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8987897

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide (CID 8988228) is N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide is CCn1cnnc1SCC(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
The InChIKey is YSKLBGLTFBCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2S/c1-3-21-10-17-19-15(21)24-9-14(23)20(2)8-13(22)18-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 367.86 g/mol, XLogP of 2.14, 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-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 8988228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).