N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide

C20H21N5O5S2 — CID 4851436

IUPACN-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)NC(N)=O
InChIInChI=1S/C20H21N5O5S2/c1-12(17(26)24-19(21)28)31-20-23-16-5-3-2-4-15(16)18(27)25(20)11-10-13-6-8-14(9-7-13)32(22,29)30/h2-9,12H,10-11H2,1H3,(H2,22,29,30)(H3,21,24,26,28)
InChIKeyLCDPSRGIEHOPFU-UHFFFAOYSA-N
MW475.55 g/mol
LogP0.96
Rot. Bonds7

About N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide

N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide (PubChem CID 4851436) has the molecular formula C20H21N5O5S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide
PubChem CID4851436
Molecular FormulaC20H21N5O5S2
Molecular Weight475.55 g/mol
Exact Mass475.10
IUPAC NameN-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)NC(N)=O
InChIInChI=1S/C20H21N5O5S2/c1-12(17(26)24-19(21)28)31-20-23-16-5-3-2-4-15(16)18(27)25(20)11-10-13-6-8-14(9-7-13)32(22,29)30/h2-9,12H,10-11H2,1H3,(H2,22,29,30)(H3,21,24,26,28)
InChIKeyLCDPSRGIEHOPFU-UHFFFAOYSA-N
XLogP0.96
TPSA167.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide 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-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 168273072
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 168273363
2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 168275640
N-(cyclohexylcarbamoyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2084944
2-[(3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio]-N-methylacetamide
CID 2994561
N-(benzylcarbamoyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4336595
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-N-(2-methylpropyl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
CID 135535523
3-[2-{[2-(diethylamino)-2-oxoethyl]thio}-4-oxoquinazolin-3(4H)-yl]-N-(4-fluorobenzyl)propanamide
CID 3245425
3-(4-oxo-3(4H)-quinazolinyl)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide
CID 1291315
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(4-oxo-3(4H)-quinazolinyl)acetamide
CID 2202357
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide
CID 135488903
2-(4-Oxo-3-phenethyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 860223

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide (CID 4851436) is N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide is CC(Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide?
The InChIKey is LCDPSRGIEHOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S2/c1-12(17(26)24-19(21)28)31-20-23-16-5-3-2-4-15(16)18(27)25(20)11-10-13-6-8-14(9-7-13)32(22,29)30/h2-9,12H,10-11H2,1H3,(H2,22,29,30)(H3,21,24,26,28).
What are the key properties of N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide?
N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide has a molecular weight of 475.55 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 4851436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).