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

C15H19ClN6O2S — CID 9019375

IUPAC2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C15H19ClN6O2S/c1-3-22(13(24)8-25-15-19-14(17)20-21-15)7-12(23)18-11-6-10(16)5-4-9(11)2/h4-6H,3,7-8H2,1-2H3,(H,18,23)(H3,17,19,20,21)
InChIKeyPKQTUAZMDNXDTM-UHFFFAOYSA-N
MW382.88 g/mol
LogP1.93
Rot. Bonds7

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

2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 9019375) has the molecular formula C15H19ClN6O2S and a molecular weight of 382.88 g/mol. Its IUPAC name is 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID9019375
Molecular FormulaC15H19ClN6O2S
Molecular Weight382.88 g/mol
Exact Mass382.10
IUPAC Name2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C15H19ClN6O2S/c1-3-22(13(24)8-25-15-19-14(17)20-21-15)7-12(23)18-11-6-10(16)5-4-9(11)2/h4-6H,3,7-8H2,1-2H3,(H,18,23)(H3,17,19,20,21)
InChIKeyPKQTUAZMDNXDTM-UHFFFAOYSA-N
XLogP1.93
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-methylphenyl)acetamide
CID 2455927
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 4041383
N-(5-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3979106
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644595
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 9017928
N-(2,4-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 55369827
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
CID 8599257
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
CID 18112996

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide (CID 9019375) is 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSc1n[nH]c(N)n1.
What is the InChIKey of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is PKQTUAZMDNXDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2S/c1-3-22(13(24)8-25-15-19-14(17)20-21-15)7-12(23)18-11-6-10(16)5-4-9(11)2/h4-6H,3,7-8H2,1-2H3,(H,18,23)(H3,17,19,20,21).
What are the key properties of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 382.88 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 9019375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).