2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide

C25H23FN4O5S — CID 20865843

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3cccc(F)c3)ccc2n(C)c1=O
InChIInChI=1S/C25H23FN4O5S/c1-29-22-12-11-19(15-20(22)24(32)30(2)25(29)33)36(34,35)28-21(13-16-7-4-3-5-8-16)23(31)27-18-10-6-9-17(26)14-18/h3-12,14-15,21,28H,13H2,1-2H3,(H,27,31)
InChIKeyBHAHRKDFRHSIFX-UHFFFAOYSA-N
MW510.55 g/mol
LogP1.90
Rot. Bonds7

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide (PubChem CID 20865843) has the molecular formula C25H23FN4O5S and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
PubChem CID20865843
Molecular FormulaC25H23FN4O5S
Molecular Weight510.55 g/mol
Exact Mass510.14
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3cccc(F)c3)ccc2n(C)c1=O
InChIInChI=1S/C25H23FN4O5S/c1-29-22-12-11-19(15-20(22)24(32)30(2)25(29)33)36(34,35)28-21(13-16-7-4-3-5-8-16)23(31)27-18-10-6-9-17(26)14-18/h3-12,14-15,21,28H,13H2,1-2H3,(H,27,31)
InChIKeyBHAHRKDFRHSIFX-UHFFFAOYSA-N
XLogP1.90
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 20865859
1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
CID 20865863
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 20865889
(2S)-N-(3-acetylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541081
(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 92665671
(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540838
N-(4-ethylphenyl)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20864229
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 28541083
2-[(4-fluorophenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 43871262
(2S)-N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541415
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 20865885

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide (CID 20865843) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide is Cn1c(=O)c2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3cccc(F)c3)ccc2n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide?
The InChIKey is BHAHRKDFRHSIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O5S/c1-29-22-12-11-19(15-20(22)24(32)30(2)25(29)33)36(34,35)28-21(13-16-7-4-3-5-8-16)23(31)27-18-10-6-9-17(26)14-18/h3-12,14-15,21,28H,13H2,1-2H3,(H,27,31).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide has a molecular weight of 510.55 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 20865843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).