N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide

C22H26N6O2S — CID 55737763

IUPACN-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCc1nc2nc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)nn2c(C)c1C
InChIInChI=1S/C22H26N6O2S/c1-13-14(2)23-21-26-22(27-28(21)15(13)3)31-12-19(29)25-18-11-7-6-10-17(18)20(30)24-16-8-4-5-9-16/h6-7,10-11,16H,4-5,8-9,12H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyDLPDSKRDIXDVMP-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.45
Rot. Bonds6

About N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide

N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 55737763) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID55737763
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCc1nc2nc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)nn2c(C)c1C
InChIInChI=1S/C22H26N6O2S/c1-13-14(2)23-21-26-22(27-28(21)15(13)3)31-12-19(29)25-18-11-7-6-10-17(18)20(30)24-16-8-4-5-9-16/h6-7,10-11,16H,4-5,8-9,12H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyDLPDSKRDIXDVMP-UHFFFAOYSA-N
XLogP3.45
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 28542655
2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-cyclooctylacetamide
CID 22422933
N-(2,3-dichlorophenyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 55737730
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16610863
N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 46482489
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2621097
N-cyclopentyl-2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16537065
N-cyclopentyl-2-[[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 112782864

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide (CID 55737763) is N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide is Cc1nc2nc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)nn2c(C)c1C.
What is the InChIKey of N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is DLPDSKRDIXDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-13-14(2)23-21-26-22(27-28(21)15(13)3)31-12-19(29)25-18-11-7-6-10-17(18)20(30)24-16-8-4-5-9-16/h6-7,10-11,16H,4-5,8-9,12H2,1-3H3,(H,24,30)(H,25,29).
What are the key properties of N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 438.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 55737763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).