N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

C24H22N4O4S — CID 55471858

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCn3cnc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-6-12-20(13-7-17)33(31,32)27-19-10-8-18(9-11-19)26-23(29)14-15-28-16-25-22-5-3-2-4-21(22)24(28)30/h2-13,16,27H,14-15H2,1H3,(H,26,29)
InChIKeyVRFSBNOEWBKXQO-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.53
Rot. Bonds7

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 55471858) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID55471858
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCn3cnc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-6-12-20(13-7-17)33(31,32)27-19-10-8-18(9-11-19)26-23(29)14-15-28-16-25-22-5-3-2-4-21(22)24(28)30/h2-13,16,27H,14-15H2,1H3,(H,26,29)
InChIKeyVRFSBNOEWBKXQO-UHFFFAOYSA-N
XLogP3.53
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 40836426
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 55471858) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCn3cnc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is VRFSBNOEWBKXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-17-6-12-20(13-7-17)33(31,32)27-19-10-8-18(9-11-19)26-23(29)14-15-28-16-25-22-5-3-2-4-21(22)24(28)30/h2-13,16,27H,14-15H2,1H3,(H,26,29).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 462.53 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 55471858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).