N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide

C19H24ClN5O2S — CID 6495977

IUPACN-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide
SMILESCCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C19H24ClN5O2S/c1-2-25-16(11-17(26)22-15-10-6-5-9-14(15)20)23-24-19(25)28-12-18(27)21-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyQCBJKFKAGOECRJ-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.28
Rot. Bonds8

About N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide

N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 6495977) has the molecular formula C19H24ClN5O2S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide
PubChem CID6495977
Molecular FormulaC19H24ClN5O2S
Molecular Weight421.95 g/mol
Exact Mass421.13
IUPAC NameN-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide
SMILESCCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C19H24ClN5O2S/c1-2-25-16(11-17(26)22-15-10-6-5-9-14(15)20)23-24-19(25)28-12-18(27)21-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyQCBJKFKAGOECRJ-UHFFFAOYSA-N
XLogP3.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide (CID 6495977) is N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide is CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is QCBJKFKAGOECRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2S/c1-2-25-16(11-17(26)22-15-10-6-5-9-14(15)20)23-24-19(25)28-12-18(27)21-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,21,27)(H,22,26).
What are the key properties of N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide?
N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 421.95 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 6495977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).