N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide

C21H22N4O3S2 — CID 2412906

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H22N4O3S2/c26-20(14-29-21-18-6-2-3-7-19(18)22-15-23-21)24-16-8-10-17(11-9-16)30(27,28)25-12-4-1-5-13-25/h2-3,6-11,15H,1,4-5,12-14H2,(H,24,26)
InChIKeyKDEAHLYALIQACK-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.54
Rot. Bonds6

About N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide

N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2412906) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2412906
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H22N4O3S2/c26-20(14-29-21-18-6-2-3-7-19(18)22-15-23-21)24-16-8-10-17(11-9-16)30(27,28)25-12-4-1-5-13-25/h2-3,6-11,15H,1,4-5,12-14H2,(H,24,26)
InChIKeyKDEAHLYALIQACK-UHFFFAOYSA-N
XLogP3.54
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1155564
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3266954
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2652588
4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 6968365
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1445363
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 23739711

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 2412906) is N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is KDEAHLYALIQACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c26-20(14-29-21-18-6-2-3-7-19(18)22-15-23-21)24-16-8-10-17(11-9-16)30(27,28)25-12-4-1-5-13-25/h2-3,6-11,15H,1,4-5,12-14H2,(H,24,26).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 442.57 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2412906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).