N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide

C20H24N4O2S — CID 9028858

IUPACN-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-13(25)21-11-10-14-2-4-15(5-3-14)18(26)12-27-20-23-22-19(16-6-7-16)24(20)17-8-9-17/h2-5,16-17H,6-12H2,1H3,(H,21,25)
InChIKeyOAYILNNHFBMVRL-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.14
Rot. Bonds9

About N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide

N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide (PubChem CID 9028858) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
PubChem CID9028858
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-13(25)21-11-10-14-2-4-15(5-3-14)18(26)12-27-20-23-22-19(16-6-7-16)24(20)17-8-9-17/h2-5,16-17H,6-12H2,1H3,(H,21,25)
InChIKeyOAYILNNHFBMVRL-UHFFFAOYSA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-{[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
CID 6497721
4-Methyl-benzoic acid N'-[2-(5-cyclopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide
CID 855582
N-[[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methyl]-N-methylacetamide
CID 9360307
2-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one
CID 16303662
2-(5-Benzyl-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1451132
4-methyl-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
CID 2946605
3-methyl-N-{[4-methyl-5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
CID 4316236
N-[1-(5-Cyclopentylcarbamoylmethylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-2-fluoro-benzamide
CID 6495947
N-{[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
CID 6500179
2-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)ethanone
CID 7665074
6-Amino-5-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 16313720
4-[[4-benzyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-cyclohexylbenzamide
CID 148732191

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide (CID 9028858) is N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1.
What is the InChIKey of N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
The InChIKey is OAYILNNHFBMVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13(25)21-11-10-14-2-4-15(5-3-14)18(26)12-27-20-23-22-19(16-6-7-16)24(20)17-8-9-17/h2-5,16-17H,6-12H2,1H3,(H,21,25).
What are the key properties of N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 9028858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).