N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide

C25H29N3O4S — CID 41488663

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 41488663) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
• PubChem CID: 41488663
• Molecular Formula: C25H29N3O4S
• Molecular Weight: 467.59 g/mol
• Exact Mass: 467.19
• IUPAC Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
• SMILES: COC[C@H](C)n1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2ccccc2c1=O
• InChI: InChI=1S/C25H29N3O4S/c1-18(16-31-2)28-24(30)21-12-6-7-13-22(21)26-25(28)33-17-23(29)27(15-20-11-8-14-32-20)19-9-4-3-5-10-19/h6-9,11-14,18H,3-5,10,15-17H2,1-2H3/t18-/m0/s1
• InChIKey: PIKHQLSJRIOWCY-SFHVURJKSA-N
• XLogP: 4.78
• TPSA: 77.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.59
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?

The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 41488663) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide.

What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?

The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide is COC[C@H](C)n1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2ccccc2c1=O.

What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?

The InChIKey is PIKHQLSJRIOWCY-SFHVURJKSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-18(16-31-2)28-24(30)21-12-6-7-13-22(21)26-25(28)33-17-23(29)27(15-20-11-8-14-32-20)19-9-4-3-5-10-19/h6-9,11-14,18H,3-5,10,15-17H2,1-2H3/t18-/m0/s1.

What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide?

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 467.59 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 41488663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).