2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide

C14H20N2O4S2 — CID 56801922

IUPAC2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCSC(C)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O4S2/c1-11(21-2)14(17)15-12-5-3-4-6-13(12)22(18,19)16-7-9-20-10-8-16/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyJAPMJKODWFRTQX-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.40
Rot. Bonds5

About 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide

2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 56801922) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID56801922
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCSC(C)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O4S2/c1-11(21-2)14(17)15-12-5-3-4-6-13(12)22(18,19)16-7-9-20-10-8-16/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyJAPMJKODWFRTQX-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 95599206
2-ethoxy-N-(2-morpholin-4-ylsulfonylphenyl)propanamide
CID 56801921
2-methylsulfanyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 43077352
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
2-(4-ethynylphenyl)-N-(2-morpholin-4-ylsulfonylphenyl)acetamide
CID 159327916
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
2-morpholin-4-ylsulfonylphenol
CID 79020270
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-(2-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 126822629
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide (CID 56801922) is 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide is CSC(C)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is JAPMJKODWFRTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-11(21-2)14(17)15-12-5-3-4-6-13(12)22(18,19)16-7-9-20-10-8-16/h3-6,11H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide?
2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 56801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).