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

C17H21FN2O3S2 — CID 16933201

IUPAC1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H21FN2O3S2/c18-16-3-1-14(2-4-16)13-25(21,22)19-11-17(15-5-10-24-12-15)20-6-8-23-9-7-20/h1-5,10,12,17,19H,6-9,11,13H2
InChIKeyNUJMWMRWEYIAGK-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.38
Rot. Bonds7

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

1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 16933201) has the molecular formula C17H21FN2O3S2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID16933201
Molecular FormulaC17H21FN2O3S2
Molecular Weight384.50 g/mol
Exact Mass384.10
IUPAC Name1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H21FN2O3S2/c18-16-3-1-14(2-4-16)13-25(21,22)19-11-17(15-5-10-24-12-15)20-6-8-23-9-7-20/h1-5,10,12,17,19H,6-9,11,13H2
InChIKeyNUJMWMRWEYIAGK-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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Related Compounds

4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3242576
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
4-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006138
N1-(4-fluorobenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561603
N1-(2-fluorobenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18562515
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24979324
N1-benzyl-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561598
N1-((3-((4-fluoro-3-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18562594

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide (CID 16933201) is 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC(c1ccsc1)N1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is NUJMWMRWEYIAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S2/c18-16-3-1-14(2-4-16)13-25(21,22)19-11-17(15-5-10-24-12-15)20-6-8-23-9-7-20/h1-5,10,12,17,19H,6-9,11,13H2.
What are the key properties of 1-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide?
1-(4-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-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 16933201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).