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

C21H21N3O4S2 — CID 4261263

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O4S2/c25-20(15-29-19-5-1-3-16-4-2-10-22-21(16)19)23-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-10H,11-15H2,(H,23,25)
InChIKeyQPVPCRMOVBLWQG-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.99
Rot. Bonds6

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

N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 4261263) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID4261263
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESO=C(CSc1cccc2cccnc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O4S2/c25-20(15-29-19-5-1-3-16-4-2-10-22-21(16)19)23-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-10H,11-15H2,(H,23,25)
InChIKeyQPVPCRMOVBLWQG-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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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide (CID 4261263) is N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide is O=C(CSc1cccc2cccnc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is QPVPCRMOVBLWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c25-20(15-29-19-5-1-3-16-4-2-10-22-21(16)19)23-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-10H,11-15H2,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(4-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-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 4261263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).