N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C25H28N4O5S — CID 135843421

IUPACN-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1
InChIInChI=1S/C25H28N4O5S/c30-24-21-10-1-2-11-22(21)26-23(27-24)17-28(16-19-8-6-14-34-19)25(31)18-7-5-9-20(15-18)35(32,33)29-12-3-4-13-29/h1-2,5,7,9-11,15,19H,3-4,6,8,12-14,16-17H2,(H,26,27,30)
InChIKeyPUTORUUHZMEZOE-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.53
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 135843421) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID135843421
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC NameN-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1
InChIInChI=1S/C25H28N4O5S/c30-24-21-10-1-2-11-22(21)26-23(27-24)17-28(16-19-8-6-14-34-19)25(31)18-7-5-9-20(15-18)35(32,33)29-12-3-4-13-29/h1-2,5,7,9-11,15,19H,3-4,6,8,12-14,16-17H2,(H,26,27,30)
InChIKeyPUTORUUHZMEZOE-UHFFFAOYSA-N
XLogP2.53
TPSA112.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide with MolForge

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Related Compounds

3-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722369
3-morpholin-4-ylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135893000
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
5-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 135616548
4-methyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135857848
2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135888215
3,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-2-carboxamide
CID 135920659
3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 135875296
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazine-2-carboxamide
CID 135758858
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135715107
2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 135949343

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 135843421) is N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PUTORUUHZMEZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-24-21-10-1-2-11-22(21)26-23(27-24)17-28(16-19-8-6-14-34-19)25(31)18-7-5-9-20(15-18)35(32,33)29-12-3-4-13-29/h1-2,5,7,9-11,15,19H,3-4,6,8,12-14,16-17H2,(H,26,27,30).
What are the key properties of N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 496.59 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 135843421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).