N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide

C21H21N3O4S2 — CID 4557249

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H21N3O4S2/c25-20(15-29-19-8-1-4-16-5-3-9-22-21(16)19)23-17-6-2-7-18(14-17)30(26,27)24-10-12-28-13-11-24/h1-9,14H,10-13,15H2,(H,23,25)
InChIKeyYCNDOIVOIFMLNM-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.99
Rot. Bonds6

About N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide

N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 4557249) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID4557249
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H21N3O4S2/c25-20(15-29-19-8-1-4-16-5-3-9-22-21(16)19)23-17-6-2-7-18(14-17)30(26,27)24-10-12-28-13-11-24/h1-9,14H,10-13,15H2,(H,23,25)
InChIKeyYCNDOIVOIFMLNM-UHFFFAOYSA-N
XLogP2.99
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 16530319
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 39939286
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4145244
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7753229
N-(3-morpholin-4-ylsulfonylphenyl)-3-pyridin-3-ylpropanamide
CID 9204402
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 42998392
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 39951682
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813064

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide (CID 4557249) is N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is YCNDOIVOIFMLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c25-20(15-29-19-8-1-4-16-5-3-9-22-21(16)19)23-17-6-2-7-18(14-17)30(26,27)24-10-12-28-13-11-24/h1-9,14H,10-13,15H2,(H,23,25).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 443.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 4557249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).