N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C25H24N4O5S — CID 135886726

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1C
InChIInChI=1S/C25H24N4O5S/c1-16-11-12-17(15-22(16)35(32,33)29-20-9-5-6-10-21(20)34-2)26-24(30)14-13-23-27-19-8-4-3-7-18(19)25(31)28-23/h3-12,15,29H,13-14H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyYMQFYHKYLGOHBR-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.61
Rot. Bonds8

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135886726) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135886726
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1C
InChIInChI=1S/C25H24N4O5S/c1-16-11-12-17(15-22(16)35(32,33)29-20-9-5-6-10-21(20)34-2)26-24(30)14-13-23-27-19-8-4-3-7-18(19)25(31)28-23/h3-12,15,29H,13-14H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyYMQFYHKYLGOHBR-UHFFFAOYSA-N
XLogP3.61
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135886726) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1C.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is YMQFYHKYLGOHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-16-11-12-17(15-22(16)35(32,33)29-20-9-5-6-10-21(20)34-2)26-24(30)14-13-23-27-19-8-4-3-7-18(19)25(31)28-23/h3-12,15,29H,13-14H2,1-2H3,(H,26,30)(H,27,28,31).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 492.56 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135886726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).