N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide

C22H27N5O3S2 — CID 27098326

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)nc2ccccc12
InChIInChI=1S/C22H27N5O3S2/c1-4-23-21-18-9-7-8-10-19(18)25-22(26-21)31-15-20(28)24-16-11-13-17(14-12-16)32(29,30)27(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyBRYPCFBHNDEUIK-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.82
Rot. Bonds10

About N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide

N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 27098326) has the molecular formula C22H27N5O3S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
PubChem CID27098326
Molecular FormulaC22H27N5O3S2
Molecular Weight473.62 g/mol
Exact Mass473.16
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)nc2ccccc12
InChIInChI=1S/C22H27N5O3S2/c1-4-23-21-18-9-7-8-10-19(18)25-22(26-21)31-15-20(28)24-16-11-13-17(14-12-16)32(29,30)27(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyBRYPCFBHNDEUIK-UHFFFAOYSA-N
XLogP3.82
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide 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

3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18275768
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768
ethyl 4-[[2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 6616406
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 23611456
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108318
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
CID 5142311
N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 2099003
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
CID 4883075

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide (CID 27098326) is N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide is CCNc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)nc2ccccc12.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is BRYPCFBHNDEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S2/c1-4-23-21-18-9-7-8-10-19(18)25-22(26-21)31-15-20(28)24-16-11-13-17(14-12-16)32(29,30)27(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 473.62 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 27098326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).