2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

C24H22ClN5O2S — CID 46470535

IUPAC2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H22ClN5O2S/c1-17(19-7-9-22(10-8-19)32-14-18-4-3-11-26-13-18)28-23(31)15-33-24-29-27-16-30(24)21-6-2-5-20(25)12-21/h2-13,16-17H,14-15H2,1H3,(H,28,31)
InChIKeyBNBNRKYWXFAPCZ-UHFFFAOYSA-N
MW479.99 g/mol
LogP4.86
Rot. Bonds9

About 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (PubChem CID 46470535) has the molecular formula C24H22ClN5O2S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
PubChem CID46470535
Molecular FormulaC24H22ClN5O2S
Molecular Weight479.99 g/mol
Exact Mass479.12
IUPAC Name2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H22ClN5O2S/c1-17(19-7-9-22(10-8-19)32-14-18-4-3-11-26-13-18)28-23(31)15-33-24-29-27-16-30(24)21-6-2-5-20(25)12-21/h2-13,16-17H,14-15H2,1H3,(H,28,31)
InChIKeyBNBNRKYWXFAPCZ-UHFFFAOYSA-N
XLogP4.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide with MolForge

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Related Compounds

2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 17441415
2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40579299
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55545825
N-[1-(3-chlorophenyl)ethyl]-2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46508446
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55672077
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone
CID 40568353
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 55597473
(E)-N-[1-(4-chlorophenyl)ethyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 42950724
2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 17454404
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 40568479

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (CID 46470535) is 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is CC(NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The InChIKey is BNBNRKYWXFAPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S/c1-17(19-7-9-22(10-8-19)32-14-18-4-3-11-26-13-18)28-23(31)15-33-24-29-27-16-30(24)21-6-2-5-20(25)12-21/h2-13,16-17H,14-15H2,1H3,(H,28,31).
What are the key properties of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide has a molecular weight of 479.99 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 46470535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).