2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C22H23N3O4S2 — CID 3665415

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12
InChIInChI=1S/C22H23N3O4S2/c1-16-13-22(24-20-8-3-2-7-19(16)20)30-15-21(26)23-17-5-4-6-18(14-17)31(27,28)25-9-11-29-12-10-25/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)
InChIKeySISDLYHQQHGJSH-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.29
Rot. Bonds6

About 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3665415) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3665415
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12
InChIInChI=1S/C22H23N3O4S2/c1-16-13-22(24-20-8-3-2-7-19(16)20)30-15-21(26)23-17-5-4-6-18(14-17)31(27,28)25-9-11-29-12-10-25/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)
InChIKeySISDLYHQQHGJSH-UHFFFAOYSA-N
XLogP3.29
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3665415) is 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1cc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SISDLYHQQHGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-16-13-22(24-20-8-3-2-7-19(16)20)30-15-21(26)23-17-5-4-6-18(14-17)31(27,28)25-9-11-29-12-10-25/h2-8,13-14H,9-12,15H2,1H3,(H,23,26).
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 457.58 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3665415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).