N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide

C16H28N6O3S — CID 9378842

IUPACN-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
SMILESCNC(=O)CN(C)C(=O)CSc1nnc(N2CCOCC2)n1CC(C)C
InChIInChI=1S/C16H28N6O3S/c1-12(2)9-22-15(21-5-7-25-8-6-21)18-19-16(22)26-11-14(24)20(4)10-13(23)17-3/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyNLHHXAYZZUTPBL-UHFFFAOYSA-N
MW384.51 g/mol
LogP0.07
Rot. Bonds8

About N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide

N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 9378842) has the molecular formula C16H28N6O3S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID9378842
Molecular FormulaC16H28N6O3S
Molecular Weight384.51 g/mol
Exact Mass384.19
IUPAC NameN-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
SMILESCNC(=O)CN(C)C(=O)CSc1nnc(N2CCOCC2)n1CC(C)C
InChIInChI=1S/C16H28N6O3S/c1-12(2)9-22-15(21-5-7-25-8-6-21)18-19-16(22)26-11-14(24)20(4)10-13(23)17-3/h12H,5-11H2,1-4H3,(H,17,23)
InChIKeyNLHHXAYZZUTPBL-UHFFFAOYSA-N
XLogP0.07
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-[[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 9378877
2-[[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 9378865
(2R)-N-ethyl-2-[[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide
CID 9378870
N-[4-(dimethylamino)phenyl]-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55392863
N-(dicyclopropylmethyl)-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 34261189
N-(3,3-dimethylbutyl)-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 87019019
3-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 35625641
N-(3,5-difluorophenyl)-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 18128376
2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
CID 18199509
(2R)-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 9319603
N-[(3-fluoro-4-methylphenyl)methyl]-2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 36700352
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 8838297

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide (CID 9378842) is N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide is CNC(=O)CN(C)C(=O)CSc1nnc(N2CCOCC2)n1CC(C)C.
What is the InChIKey of N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is NLHHXAYZZUTPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O3S/c1-12(2)9-22-15(21-5-7-25-8-6-21)18-19-16(22)26-11-14(24)20(4)10-13(23)17-3/h12H,5-11H2,1-4H3,(H,17,23).
What are the key properties of N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 384.51 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 9378842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).