N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C21H23N3O2S — CID 7886203

IUPACN-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC1CCCCCC1
InChIInChI=1S/C21H23N3O2S/c25-19(23-16-10-6-1-2-7-11-16)13-24-14-22-20-17(21(24)26)12-18(27-20)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,1-2,6-7,10-11,13H2,(H,23,25)
InChIKeyBNGHFNRNOXDHPO-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.96
Rot. Bonds4

About N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 7886203) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID7886203
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC1CCCCCC1
InChIInChI=1S/C21H23N3O2S/c25-19(23-16-10-6-1-2-7-11-16)13-24-14-22-20-17(21(24)26)12-18(27-20)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,1-2,6-7,10-11,13H2,(H,23,25)
InChIKeyBNGHFNRNOXDHPO-UHFFFAOYSA-N
XLogP3.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 7886203) is N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BNGHFNRNOXDHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-19(23-16-10-6-1-2-7-11-16)13-24-14-22-20-17(21(24)26)12-18(27-20)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,1-2,6-7,10-11,13H2,(H,23,25).
What are the key properties of N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 7886203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).