2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

C20H17N3O2S — CID 2150424

IUPAC2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(N)=O)c1C2
InChIInChI=1S/C20H17N3O2S/c1-12-6-5-9-14-10-15-19(25-17(12)14)22-18(13-7-3-2-4-8-13)23-20(15)26-11-16(21)24/h2-9H,10-11H2,1H3,(H2,21,24)
InChIKeyBNUWECWXPIPSDS-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.73
Rot. Bonds4

About 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide

2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 2150424) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID2150424
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(N)=O)c1C2
InChIInChI=1S/C20H17N3O2S/c1-12-6-5-9-14-10-15-19(25-17(12)14)22-18(13-7-3-2-4-8-13)23-20(15)26-11-16(21)24/h2-9H,10-11H2,1H3,(H2,21,24)
InChIKeyBNUWECWXPIPSDS-UHFFFAOYSA-N
XLogP3.73
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (CID 2150424) is 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is Cc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(N)=O)c1C2.
What is the InChIKey of 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is BNUWECWXPIPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-6-5-9-14-10-15-19(25-17(12)14)22-18(13-7-3-2-4-8-13)23-20(15)26-11-16(21)24/h2-9H,10-11H2,1H3,(H2,21,24).
What are the key properties of 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 2150424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).