2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide

C19H21Cl2N5O2S — CID 40794964

IUPAC2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide
SMILESCCC[C@H](CNC(=O)CSc1nnc(-c2ccco2)n1N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N5O2S/c1-2-4-12(14-7-6-13(20)9-15(14)21)10-23-17(27)11-29-19-25-24-18(26(19)22)16-5-3-8-28-16/h3,5-9,12H,2,4,10-11,22H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyMUEXRMIOTRKCJZ-GFCCVEGCSA-N
MW454.38 g/mol
LogP4.35
Rot. Bonds9

About 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide (PubChem CID 40794964) has the molecular formula C19H21Cl2N5O2S and a molecular weight of 454.38 g/mol. Its IUPAC name is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide
PubChem CID40794964
Molecular FormulaC19H21Cl2N5O2S
Molecular Weight454.38 g/mol
Exact Mass453.08
IUPAC Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide
SMILESCCC[C@H](CNC(=O)CSc1nnc(-c2ccco2)n1N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N5O2S/c1-2-4-12(14-7-6-13(20)9-15(14)21)10-23-17(27)11-29-19-25-24-18(26(19)22)16-5-3-8-28-16/h3,5-9,12H,2,4,10-11,22H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyMUEXRMIOTRKCJZ-GFCCVEGCSA-N
XLogP4.35
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(2,4-dichlorophenyl)pentyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2394366
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7273135
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
CID 8581569
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7638048
N-[2-(2,4-dichlorophenyl)pentyl]-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46445394
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide
CID 7637920
N-[(2,4-dichlorophenyl)methyl]-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2547294
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8581541
N-[(2R)-2-(2,4-dichlorophenyl)pentyl]-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 25466393
ethyl N-[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 4852588
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4852586
N-(2,4-dichlorophenyl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16513700

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide?
The IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide (CID 40794964) is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide.
What is the SMILES notation for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide?
The canonical SMILES for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide is CCC[C@H](CNC(=O)CSc1nnc(-c2ccco2)n1N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide?
The InChIKey is MUEXRMIOTRKCJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2S/c1-2-4-12(14-7-6-13(20)9-15(14)21)10-23-17(27)11-29-19-25-24-18(26(19)22)16-5-3-8-28-16/h3,5-9,12H,2,4,10-11,22H2,1H3,(H,23,27)/t12-/m1/s1.
What are the key properties of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide?
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide has a molecular weight of 454.38 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide is sourced from PubChem (CID 40794964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).