N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H23N5O4S — CID 8580475

IUPACN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)n[nH]c1=O
InChIInChI=1S/C14H23N5O4S/c1-3-4-19-13(22)15-16-14(19)24-10-12(21)17(2)9-11(20)18-5-7-23-8-6-18/h3-10H2,1-2H3,(H,15,22)
InChIKeyTXTFCIVZAGMAGD-UHFFFAOYSA-N
MW357.44 g/mol
LogP-0.61
Rot. Bonds7

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

N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8580475) has the molecular formula C14H23N5O4S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8580475
Molecular FormulaC14H23N5O4S
Molecular Weight357.44 g/mol
Exact Mass357.15
IUPAC NameN-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)n[nH]c1=O
InChIInChI=1S/C14H23N5O4S/c1-3-4-19-13(22)15-16-14(19)24-10-12(21)17(2)9-11(20)18-5-7-23-8-6-18/h3-10H2,1-2H3,(H,15,22)
InChIKeyTXTFCIVZAGMAGD-UHFFFAOYSA-N
XLogP-0.61
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 2814158
ethyl 4-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate
CID 8626939
3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 8630162
4-cyclopropyl-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 9346955
4-cyclopropyl-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 9346957
4-cyclopropyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 9346963
4-(3-methoxypropyl)-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 9375808
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one
CID 9375828
2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-methylacetamide
CID 9375910
N-ethyl-2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 9375930
2-[[2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-methylacetamide
CID 9375942
4-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 9376648

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8580475) is N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)n[nH]c1=O.
What is the InChIKey of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is TXTFCIVZAGMAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4S/c1-3-4-19-13(22)15-16-14(19)24-10-12(21)17(2)9-11(20)18-5-7-23-8-6-18/h3-10H2,1-2H3,(H,15,22).
What are the key properties of N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of -0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8580475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).