2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide

C26H31N3O5S — CID 15989510

IUPAC2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n(CCCS(=O)(=O)C2CCCCC2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H31N3O5S/c1-27(20-11-4-2-5-12-20)24(30)19-29-23-16-9-8-15-22(23)25(31)28(26(29)32)17-10-18-35(33,34)21-13-6-3-7-14-21/h2,4-5,8-9,11-12,15-16,21H,3,6-7,10,13-14,17-19H2,1H3
InChIKeyUCGPMETXKLNRKY-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.96
Rot. Bonds8

About 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide

2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 15989510) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID15989510
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC Name2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)n(CCCS(=O)(=O)C2CCCCC2)c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H31N3O5S/c1-27(20-11-4-2-5-12-20)24(30)19-29-23-16-9-8-15-22(23)25(31)28(26(29)32)17-10-18-35(33,34)21-13-6-3-7-14-21/h2,4-5,8-9,11-12,15-16,21H,3,6-7,10,13-14,17-19H2,1H3
InChIKeyUCGPMETXKLNRKY-UHFFFAOYSA-N
XLogP2.96
TPSA98.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide (CID 15989510) is 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1c(=O)n(CCCS(=O)(=O)C2CCCCC2)c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is UCGPMETXKLNRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-27(20-11-4-2-5-12-20)24(30)19-29-23-16-9-8-15-22(23)25(31)28(26(29)32)17-10-18-35(33,34)21-13-6-3-7-14-21/h2,4-5,8-9,11-12,15-16,21H,3,6-7,10,13-14,17-19H2,1H3.
What are the key properties of 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide?
2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 497.62 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclohexylsulfonylpropyl)-2,4-dioxoquinazolin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 15989510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).