2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C21H23N3O2S — CID 1465905

IUPAC2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H23N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-17-10-4-5-11-18(17)23-20(24-21)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13-14H2,(H,22,25)
InChIKeyTUMJQFRANSTLTQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.68
Rot. Bonds6

About 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 1465905) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID1465905
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H23N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-17-10-4-5-11-18(17)23-20(24-21)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13-14H2,(H,22,25)
InChIKeyTUMJQFRANSTLTQ-UHFFFAOYSA-N
XLogP4.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 1465905) is 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1.
What is the InChIKey of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is TUMJQFRANSTLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-19(22-13-16-9-6-12-26-16)14-27-21-17-10-4-5-11-18(17)23-20(24-21)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13-14H2,(H,22,25).
What are the key properties of 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1465905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).