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

C17H23N5O3S — CID 2448743

IUPAC2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCCCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n[nH]c1=O
InChIInChI=1S/C17H23N5O3S/c1-4-9-22-16(25)19-20-17(22)26-11-15(24)21(3)10-14(23)18-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,18,23)(H,19,25)
InChIKeyJXYKINIBRSSBKM-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.48
Rot. Bonds8

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

2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 2448743) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID2448743
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCCCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n[nH]c1=O
InChIInChI=1S/C17H23N5O3S/c1-4-9-22-16(25)19-20-17(22)26-11-15(24)21(3)10-14(23)18-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,18,23)(H,19,25)
InChIKeyJXYKINIBRSSBKM-UHFFFAOYSA-N
XLogP1.48
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

N-(2-cyanophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2516470
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2507514
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2507584
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 2523532
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2524421
2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 4878661
2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide;hydrochloride
CID 6602941
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 44521958
2-[methyl-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 135415498
2-(2,4-Dioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1330701
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 2088989

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (CID 2448743) is 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is CCCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n[nH]c1=O.
What is the InChIKey of 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is JXYKINIBRSSBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-4-9-22-16(25)19-20-17(22)26-11-15(24)21(3)10-14(23)18-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,18,23)(H,19,25).
What are the key properties of 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2448743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).