N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C26H26N4O5S — CID 135768630

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C26H26N4O5S/c1-3-30(18-9-5-4-6-10-18)36(33,34)19-13-14-23(35-2)22(17-19)28-25(31)16-15-24-27-21-12-8-7-11-20(21)26(32)29-24/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyHQVIDFOKGXKXJI-UHFFFAOYSA-N
MW506.58 g/mol
LogP3.72
Rot. Bonds9

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135768630) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135768630
Molecular FormulaC26H26N4O5S
Molecular Weight506.58 g/mol
Exact Mass506.16
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C26H26N4O5S/c1-3-30(18-9-5-4-6-10-18)36(33,34)19-13-14-23(35-2)22(17-19)28-25(31)16-15-24-27-21-12-8-7-11-20(21)26(32)29-24/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyHQVIDFOKGXKXJI-UHFFFAOYSA-N
XLogP3.72
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-Methoxyphenyl)-4-{[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanoyl]amino}benzamide
CID 135566794
N-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
CID 135531972
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4844513
N-(2-methoxy-5-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 2208349
N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]benzamide
CID 2987928
4-(azepan-1-ylsulfonyl)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]benzamide
CID 4190613
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methoxybenzamide
CID 4794027
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 16287053
2-{methyl[(4-methylphenyl)sulfonyl]amino}-N-(2-phenoxyphenyl)benzamide
CID 16484168
3-(2-Methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42723169
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(4-oxo-3-phenylquinazolin-2-yl)methyl]butanamide
CID 44452170
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(4-oxo-3-phenylquinazolin-2-yl)methyl]propanamide
CID 44452224

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135768630) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is HQVIDFOKGXKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-3-30(18-9-5-4-6-10-18)36(33,34)19-13-14-23(35-2)22(17-19)28-25(31)16-15-24-27-21-12-8-7-11-20(21)26(32)29-24/h4-14,17H,3,15-16H2,1-2H3,(H,28,31)(H,27,29,32).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 506.58 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135768630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).