N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide

C18H16F6N2O4S2 — CID 142673538

IUPACN-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C18H16F6N2O4S2/c19-17(20,21)12-1-2-14(13(9-12)18(22,23)24)32(28,29)25-15-7-11(10-31-15)8-16(27)26-3-5-30-6-4-26/h1-2,7,9-10,25H,3-6,8H2
InChIKeySIZOWKYJGUWWBZ-UHFFFAOYSA-N
MW502.46 g/mol
LogP3.99
Rot. Bonds5

About N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide

N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 142673538) has the molecular formula C18H16F6N2O4S2 and a molecular weight of 502.46 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
PubChem CID142673538
Molecular FormulaC18H16F6N2O4S2
Molecular Weight502.46 g/mol
Exact Mass502.05
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C18H16F6N2O4S2/c19-17(20,21)12-1-2-14(13(9-12)18(22,23)24)32(28,29)25-15-7-11(10-31-15)8-16(27)26-3-5-30-6-4-26/h1-2,7,9-10,25H,3-6,8H2
InChIKeySIZOWKYJGUWWBZ-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 10174476
N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 87545409
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
4-[3,5-bis(trifluoromethyl)phenyl]-N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 11490119
N-(2-morpholin-4-yl-2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50944502
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
2-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-3-yl]-1-pyrrolidin-1-ylethanone
CID 129219138
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938474
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603010

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide (CID 142673538) is N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide is O=C(Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is SIZOWKYJGUWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O4S2/c19-17(20,21)12-1-2-14(13(9-12)18(22,23)24)32(28,29)25-15-7-11(10-31-15)8-16(27)26-3-5-30-6-4-26/h1-2,7,9-10,25H,3-6,8H2.
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 502.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 142673538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).