N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H31N5O2S — CID 35143895

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCCCn1cnnc1SCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H31N5O2S/c1-4-5-6-7-21-14-19-20-16(21)25-12-15(23)18-13-17(2,3)22-8-10-24-11-9-22/h14H,4-13H2,1-3H3,(H,18,23)
InChIKeyBWUWTRGDCIMNBL-UHFFFAOYSA-N
MW369.54 g/mol
LogP1.79
Rot. Bonds10

About N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 35143895) has the molecular formula C17H31N5O2S and a molecular weight of 369.54 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID35143895
Molecular FormulaC17H31N5O2S
Molecular Weight369.54 g/mol
Exact Mass369.22
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCCCn1cnnc1SCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C17H31N5O2S/c1-4-5-6-7-21-14-19-20-16(21)25-12-15(23)18-13-17(2,3)22-8-10-24-11-9-22/h14H,4-13H2,1-3H3,(H,18,23)
InChIKeyBWUWTRGDCIMNBL-UHFFFAOYSA-N
XLogP1.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30942831
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 34380670
2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7894502
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8917085
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8684087
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8682568
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46668800
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8799351
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 34371592

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 35143895) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCCCn1cnnc1SCC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is BWUWTRGDCIMNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2S/c1-4-5-6-7-21-14-19-20-16(21)25-12-15(23)18-13-17(2,3)22-8-10-24-11-9-22/h14H,4-13H2,1-3H3,(H,18,23).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 369.54 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 35143895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).