N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide

C22H21N5OS — CID 50815432

IUPACN-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NC1CCCC1
InChIInChI=1S/C22H21N5OS/c28-19(23-16-10-4-5-11-16)14-29-22-26-25-21-17-12-6-7-13-18(17)24-20(27(21)22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,28)
InChIKeySVPLLXOWFYBNFC-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.10
Rot. Bonds5

About N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide (PubChem CID 50815432) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
PubChem CID50815432
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC NameN-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NC1CCCC1
InChIInChI=1S/C22H21N5OS/c28-19(23-16-10-4-5-11-16)14-29-22-26-25-21-17-12-6-7-13-18(17)24-20(27(21)22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,28)
InChIKeySVPLLXOWFYBNFC-UHFFFAOYSA-N
XLogP4.10
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 25300698
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
N-cyclohexyl-2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1374032
(2R)-2-[[2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]amino]-2-phenylacetamide
CID 92733857
2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropylacetamide
CID 1313681
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867
N-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1143807
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 4677128
N-cyclopentyl-2-[[4-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35138305
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
CID 2440467
N-cycloheptyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 977665

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide (CID 50815432) is N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide is O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The InChIKey is SVPLLXOWFYBNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c28-19(23-16-10-4-5-11-16)14-29-22-26-25-21-17-12-6-7-13-18(17)24-20(27(21)22)15-8-2-1-3-9-15/h1-3,6-9,12-13,16H,4-5,10-11,14H2,(H,23,28).
What are the key properties of N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 50815432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).