2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C19H21FN2O4S2 — CID 4791591

IUPAC2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Sc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21FN2O4S2/c1-14(27-18-8-3-2-7-17(18)20)19(23)21-15-5-4-6-16(13-15)28(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyCBBBMFNSALBQPG-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.97
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 4791591) has the molecular formula C19H21FN2O4S2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID4791591
Molecular FormulaC19H21FN2O4S2
Molecular Weight424.52 g/mol
Exact Mass424.09
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Sc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21FN2O4S2/c1-14(27-18-8-3-2-7-17(18)20)19(23)21-15-5-4-6-16(13-15)28(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyCBBBMFNSALBQPG-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3365377
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
1-(3-(3-Morpholinopropylsulfonyl)phenyl)-3-phenylurea
CID 24809976
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1006632
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 1209552
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 4791591) is 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is CC(Sc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is CBBBMFNSALBQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S2/c1-14(27-18-8-3-2-7-17(18)20)19(23)21-15-5-4-6-16(13-15)28(24,25)22-9-11-26-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 424.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4791591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).