N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H19ClN4O3S — CID 17376200

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H19ClN4O3S/c1-5-20-9(2)18-19-15(20)24-8-14(21)17-11-7-12(22-3)10(16)6-13(11)23-4/h6-7H,5,8H2,1-4H3,(H,17,21)
InChIKeyVXNUQXLPLBDBFT-UHFFFAOYSA-N
MW370.86 g/mol
LogP3.01
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 17376200) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID17376200
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H19ClN4O3S/c1-5-20-9(2)18-19-15(20)24-8-14(21)17-11-7-12(22-3)10(16)6-13(11)23-4/h6-7H,5,8H2,1-4H3,(H,17,21)
InChIKeyVXNUQXLPLBDBFT-UHFFFAOYSA-N
XLogP3.01
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 17376200) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(C)nnc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is VXNUQXLPLBDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-5-20-9(2)18-19-15(20)24-8-14(21)17-11-7-12(22-3)10(16)6-13(11)23-4/h6-7H,5,8H2,1-4H3,(H,17,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 370.86 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 17376200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).