N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H28N4O2S — CID 2650721

IUPACN,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(CC(C)C)CC(C)C)n[nH]c1=O
InChIInChI=1S/C15H28N4O2S/c1-6-7-19-14(21)16-17-15(19)22-10-13(20)18(8-11(2)3)9-12(4)5/h11-12H,6-10H2,1-5H3,(H,16,21)
InChIKeyBGUFEVNWBCTVFE-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.21
Rot. Bonds9

About N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2650721) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2650721
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC NameN,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(CC(C)C)CC(C)C)n[nH]c1=O
InChIInChI=1S/C15H28N4O2S/c1-6-7-19-14(21)16-17-15(19)22-10-13(20)18(8-11(2)3)9-12(4)5/h11-12H,6-10H2,1-5H3,(H,16,21)
InChIKeyBGUFEVNWBCTVFE-UHFFFAOYSA-N
XLogP2.21
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(tert-butylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2394690
N-cyclohexyl-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16326426
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 18202056
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 24248671
N-(1-cyano-1,2-dimethylpropyl)-2-[(5-hydroxy-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6915530
N-(cyclopropylmethyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 9205471
3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 8630183
3-[2-(dimethylamino)ethylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one
CID 45793075
2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78900825
N-(3-methylbutylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576681
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2576690
3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 8630528

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2650721) is N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)N(CC(C)C)CC(C)C)n[nH]c1=O.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is BGUFEVNWBCTVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-6-7-19-14(21)16-17-15(19)22-10-13(20)18(8-11(2)3)9-12(4)5/h11-12H,6-10H2,1-5H3,(H,16,21).
What are the key properties of N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 328.48 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2650721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).