1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide

C17H21FN2O3S2 — CID 16933199

IUPAC1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H21FN2O3S2/c18-16-4-2-1-3-15(16)13-25(21,22)19-11-17(14-5-10-24-12-14)20-6-8-23-9-7-20/h1-5,10,12,17,19H,6-9,11,13H2
InChIKeyILBXZRCPMCVGOB-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.38
Rot. Bonds7

About 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide

1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 16933199) has the molecular formula C17H21FN2O3S2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID16933199
Molecular FormulaC17H21FN2O3S2
Molecular Weight384.50 g/mol
Exact Mass384.10
IUPAC Name1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H21FN2O3S2/c18-16-4-2-1-3-15(16)13-25(21,22)19-11-17(14-5-10-24-12-14)20-6-8-23-9-7-20/h1-5,10,12,17,19H,6-9,11,13H2
InChIKeyILBXZRCPMCVGOB-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide (CID 16933199) is 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCC(c1ccsc1)N1CCOCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is ILBXZRCPMCVGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S2/c18-16-4-2-1-3-15(16)13-25(21,22)19-11-17(14-5-10-24-12-14)20-6-8-23-9-7-20/h1-5,10,12,17,19H,6-9,11,13H2.
What are the key properties of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 16933199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).