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

C14H19ClN4O2S2 — CID 8580434

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(CC)Cc2ccc(Cl)s2)n[nH]c1=O
InChIInChI=1S/C14H19ClN4O2S2/c1-3-7-19-13(21)16-17-14(19)22-9-12(20)18(4-2)8-10-5-6-11(15)23-10/h5-6H,3-4,7-9H2,1-2H3,(H,16,21)
InChIKeyRUVUSVZKUGQYJZ-UHFFFAOYSA-N
MW374.92 g/mol
LogP2.84
Rot. Bonds8

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

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8580434) has the molecular formula C14H19ClN4O2S2 and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8580434
Molecular FormulaC14H19ClN4O2S2
Molecular Weight374.92 g/mol
Exact Mass374.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)N(CC)Cc2ccc(Cl)s2)n[nH]c1=O
InChIInChI=1S/C14H19ClN4O2S2/c1-3-7-19-13(21)16-17-14(19)22-9-12(20)18(4-2)8-10-5-6-11(15)23-10/h5-6H,3-4,7-9H2,1-2H3,(H,16,21)
InChIKeyRUVUSVZKUGQYJZ-UHFFFAOYSA-N
XLogP2.84
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8580434) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)N(CC)Cc2ccc(Cl)s2)n[nH]c1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RUVUSVZKUGQYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2S2/c1-3-7-19-13(21)16-17-14(19)22-9-12(20)18(4-2)8-10-5-6-11(15)23-10/h5-6H,3-4,7-9H2,1-2H3,(H,16,21).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 374.92 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8580434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).