N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide

C18H16F6N2O4S2 — CID 10174476

IUPACN-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cc1cscc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C18H16F6N2O4S2/c19-17(20,21)12-1-2-15(13(8-12)18(22,23)24)32(28,29)25-14-10-31-9-11(14)7-16(27)26-3-5-30-6-4-26/h1-2,8-10,25H,3-7H2
InChIKeyCRSRSIJUJHZTRO-UHFFFAOYSA-N
MW502.46 g/mol
LogP3.99
Rot. Bonds5

About N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide

N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 10174476) 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-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
PubChem CID10174476
Molecular FormulaC18H16F6N2O4S2
Molecular Weight502.46 g/mol
Exact Mass502.05
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cc1cscc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C18H16F6N2O4S2/c19-17(20,21)12-1-2-15(13(8-12)18(22,23)24)32(28,29)25-14-10-31-9-11(14)7-16(27)26-3-5-30-6-4-26/h1-2,8-10,25H,3-7H2
InChIKeyCRSRSIJUJHZTRO-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-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 87545409
N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 142673538
4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 11294744
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 10127500
4-[3,5-bis(trifluoromethyl)phenyl]-N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 11490119
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
CID 10151681
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22268773
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide (CID 10174476) is N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide is O=C(Cc1cscc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is CRSRSIJUJHZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O4S2/c19-17(20,21)12-1-2-15(13(8-12)18(22,23)24)32(28,29)25-14-10-31-9-11(14)7-16(27)26-3-5-30-6-4-26/h1-2,8-10,25H,3-7H2.
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-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-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 10174476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).