N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C21H26N4O2S2 — CID 55904547

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCC(CC)C(NC(=O)CSc1nncn1-c1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C21H26N4O2S2/c1-4-15(5-2)20(18-7-6-12-28-18)23-19(26)13-29-21-24-22-14-25(21)16-8-10-17(27-3)11-9-16/h6-12,14-15,20H,4-5,13H2,1-3H3,(H,23,26)
InChIKeySVBKDZJJNMNDQM-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.72
Rot. Bonds10

About N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 55904547) has the molecular formula C21H26N4O2S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID55904547
Molecular FormulaC21H26N4O2S2
Molecular Weight430.60 g/mol
Exact Mass430.15
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCC(CC)C(NC(=O)CSc1nncn1-c1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C21H26N4O2S2/c1-4-15(5-2)20(18-7-6-12-28-18)23-19(26)13-29-21-24-22-14-25(21)16-8-10-17(27-3)11-9-16/h6-12,14-15,20H,4-5,13H2,1-3H3,(H,23,26)
InChIKeySVBKDZJJNMNDQM-UHFFFAOYSA-N
XLogP4.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8787045
2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 55503742
N-[2-(diethylamino)-2-phenylethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46543061
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 40649289
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7462729
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112786993
N-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40631180
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46826238
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55737194
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 51184209
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 55327177
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573205

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 55904547) is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCC(CC)C(NC(=O)CSc1nncn1-c1ccc(OC)cc1)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is SVBKDZJJNMNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S2/c1-4-15(5-2)20(18-7-6-12-28-18)23-19(26)13-29-21-24-22-14-25(21)16-8-10-17(27-3)11-9-16/h6-12,14-15,20H,4-5,13H2,1-3H3,(H,23,26).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 430.60 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 55904547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).