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

C20H29N5O2S2 — CID 74549437

IUPAC2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)C1
InChIInChI=1S/C20H29N5O2S2/c1-14(2)11-24-7-8-27-16(12-24)10-21-18(26)13-29-20-23-22-19(17-4-3-9-28-17)25(20)15-5-6-15/h3-4,9,14-16H,5-8,10-13H2,1-2H3,(H,21,26)
InChIKeyJVJQVCYVQXPNIE-UHFFFAOYSA-N
MW435.62 g/mol
LogP2.91
Rot. Bonds9

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

2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 74549437) has the molecular formula C20H29N5O2S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID74549437
Molecular FormulaC20H29N5O2S2
Molecular Weight435.62 g/mol
Exact Mass435.18
IUPAC Name2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)C1
InChIInChI=1S/C20H29N5O2S2/c1-14(2)11-24-7-8-27-16(12-24)10-21-18(26)13-29-20-23-22-19(17-4-3-9-28-17)25(20)15-5-6-15/h3-4,9,14-16H,5-8,10-13H2,1-2H3,(H,21,26)
InChIKeyJVJQVCYVQXPNIE-UHFFFAOYSA-N
XLogP2.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-methylacetamide
CID 8644872
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-tert-butyl-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7649065
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 7649164
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2567274
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 8879020
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8878756
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8644908
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8878980
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7649092
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 42896713

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 74549437) is 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CC(C)CN1CCOC(CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)C1.
What is the InChIKey of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is JVJQVCYVQXPNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S2/c1-14(2)11-24-7-8-27-16(12-24)10-21-18(26)13-29-20-23-22-19(17-4-3-9-28-17)25(20)15-5-6-15/h3-4,9,14-16H,5-8,10-13H2,1-2H3,(H,21,26).
What are the key properties of 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 435.62 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 74549437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).