2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide

C20H22N4O2S — CID 71909350

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
SMILESCCOc1ccc(SCC(=O)NC(C)c2ccc(-n3ccnn3)cc2)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-26-18-8-10-19(11-9-18)27-14-20(25)22-15(2)16-4-6-17(7-5-16)24-13-12-21-23-24/h4-13,15H,3,14H2,1-2H3,(H,22,25)
InChIKeyMFSUMFIELCAIJE-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.64
Rot. Bonds8

About 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 71909350) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID71909350
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
SMILESCCOc1ccc(SCC(=O)NC(C)c2ccc(-n3ccnn3)cc2)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-26-18-8-10-19(11-9-18)27-14-20(25)22-15(2)16-4-6-17(7-5-16)24-13-12-21-23-24/h4-13,15H,3,14H2,1-2H3,(H,22,25)
InChIKeyMFSUMFIELCAIJE-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97244364
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 97244375
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide (CID 71909350) is 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide is CCOc1ccc(SCC(=O)NC(C)c2ccc(-n3ccnn3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is MFSUMFIELCAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-26-18-8-10-19(11-9-18)27-14-20(25)22-15(2)16-4-6-17(7-5-16)24-13-12-21-23-24/h4-13,15H,3,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 71909350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).