N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

C24H24N4O2S — CID 16816457

IUPACN-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C24H24N4O2S/c1-15-8-2-7-13-19(15)28-23(30)22-21(17-11-5-6-12-18(17)26-22)27-24(28)31-14-20(29)25-16-9-3-4-10-16/h2,5-8,11-13,16,26H,3-4,9-10,14H2,1H3,(H,25,29)
InChIKeySUHVIODYFZSPNS-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.33
Rot. Bonds5

About N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide (PubChem CID 16816457) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
PubChem CID16816457
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C24H24N4O2S/c1-15-8-2-7-13-19(15)28-23(30)22-21(17-11-5-6-12-18(17)26-22)27-24(28)31-14-20(29)25-16-9-3-4-10-16/h2,5-8,11-13,16,26H,3-4,9-10,14H2,1H3,(H,25,29)
InChIKeySUHVIODYFZSPNS-UHFFFAOYSA-N
XLogP4.33
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide (CID 16816457) is N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide is Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2c([nH]c3ccccc32)c1=O.
What is the InChIKey of N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
The InChIKey is SUHVIODYFZSPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-8-2-7-13-19(15)28-23(30)22-21(17-11-5-6-12-18(17)26-22)27-24(28)31-14-20(29)25-16-9-3-4-10-16/h2,5-8,11-13,16,26H,3-4,9-10,14H2,1H3,(H,25,29).
What are the key properties of N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16816457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).