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

C25H19N3O2S — CID 6622688

IUPACN-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccccc1
InChIInChI=1S/C25H19N3O2S/c29-22(26-19-12-5-2-6-13-19)16-31-25-20-15-18-11-7-8-14-21(18)30-24(20)27-23(28-25)17-9-3-1-4-10-17/h1-14H,15-16H2,(H,26,29)
InChIKeyUTDRXYVQZWPOOA-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.57
Rot. Bonds5

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

N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 6622688) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID6622688
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC NameN-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccccc1
InChIInChI=1S/C25H19N3O2S/c29-22(26-19-12-5-2-6-13-19)16-31-25-20-15-18-11-7-8-14-21(18)30-24(20)27-23(28-25)17-9-3-1-4-10-17/h1-14H,15-16H2,(H,26,29)
InChIKeyUTDRXYVQZWPOOA-UHFFFAOYSA-N
XLogP5.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide (CID 6622688) is N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is UTDRXYVQZWPOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c29-22(26-19-12-5-2-6-13-19)16-31-25-20-15-18-11-7-8-14-21(18)30-24(20)27-23(28-25)17-9-3-1-4-10-17/h1-14H,15-16H2,(H,26,29).
What are the key properties of N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide?
N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 6622688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).