3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide

C24H21FN4O5S — CID 166328544

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCc1cccc(F)c1S(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21FN4O5S/c1-15-5-4-7-19(25)22(15)35(33,34)28-17-11-9-16(10-12-17)26-21(30)13-14-29-20-8-3-2-6-18(20)23(31)27-24(29)32/h2-12,28H,13-14H2,1H3,(H,26,30)(H,27,31,32)
InChIKeyOJJFJXRWJHGMFC-UHFFFAOYSA-N
MW496.52 g/mol
LogP2.97
Rot. Bonds7

About 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide (PubChem CID 166328544) has the molecular formula C24H21FN4O5S and a molecular weight of 496.52 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide
PubChem CID166328544
Molecular FormulaC24H21FN4O5S
Molecular Weight496.52 g/mol
Exact Mass496.12
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide
SMILESCc1cccc(F)c1S(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21FN4O5S/c1-15-5-4-7-19(25)22(15)35(33,34)28-17-11-9-16(10-12-17)26-21(30)13-14-29-20-8-3-2-6-18(20)23(31)27-24(29)32/h2-12,28H,13-14H2,1H3,(H,26,30)(H,27,31,32)
InChIKeyOJJFJXRWJHGMFC-UHFFFAOYSA-N
XLogP2.97
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide (CID 166328544) is 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide is Cc1cccc(F)c1S(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is OJJFJXRWJHGMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O5S/c1-15-5-4-7-19(25)22(15)35(33,34)28-17-11-9-16(10-12-17)26-21(30)13-14-29-20-8-3-2-6-18(20)23(31)27-24(29)32/h2-12,28H,13-14H2,1H3,(H,26,30)(H,27,31,32).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 496.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 166328544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).