2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide

C19H21N5O4S — CID 47010900

IUPAC2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide
SMILESCC(NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N5O4S/c1-12(13-6-8-14(9-7-13)29(21,27)28)22-10-18-23-16-5-3-2-4-15(16)19(26)24(18)11-17(20)25/h2-9,12,22H,10-11H2,1H3,(H2,20,25)(H2,21,27,28)
InChIKeyNYMFUYINLSJCFN-UHFFFAOYSA-N
MW415.48 g/mol
LogP0.38
Rot. Bonds7

About 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide

2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide (PubChem CID 47010900) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide
PubChem CID47010900
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide
SMILESCC(NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N5O4S/c1-12(13-6-8-14(9-7-13)29(21,27)28)22-10-18-23-16-5-3-2-4-15(16)19(26)24(18)11-17(20)25/h2-9,12,22H,10-11H2,1H3,(H2,20,25)(H2,21,27,28)
InChIKeyNYMFUYINLSJCFN-UHFFFAOYSA-N
XLogP0.38
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
2-[2-[[[(1R)-1-(4-bromophenyl)propyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565414
2-[2-[[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8868552
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923695
2-[2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565387
(2S)-N-tert-butyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide
CID 27362180
2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 165417008
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methylpropyl]azanium
CID 8998491
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylazanium
CID 8804996
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688250
2-[2-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 24681168

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide?
The IUPAC name of 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide (CID 47010900) is 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide?
The canonical SMILES for 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide is CC(NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide?
The InChIKey is NYMFUYINLSJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-12(13-6-8-14(9-7-13)29(21,27)28)22-10-18-23-16-5-3-2-4-15(16)19(26)24(18)11-17(20)25/h2-9,12,22H,10-11H2,1H3,(H2,20,25)(H2,21,27,28).
What are the key properties of 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide?
2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide has a molecular weight of 415.48 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[[1-(4-sulfamoylphenyl)ethylamino]methyl]quinazolin-3-yl]acetamide is sourced from PubChem (CID 47010900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).