N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C19H23F3N2O3S2 — CID 3242576

IUPACN-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H23F3N2O3S2/c20-19(21,22)16-4-1-6-18(14-16)29(25,26)24(15-17-5-2-13-28-17)8-3-7-23-9-11-27-12-10-23/h1-2,4-6,13-14H,3,7-12,15H2
InChIKeySZMGQTIJKQYDFG-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.68
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3242576) has the molecular formula C19H23F3N2O3S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3242576
Molecular FormulaC19H23F3N2O3S2
Molecular Weight448.53 g/mol
Exact Mass448.11
IUPAC NameN-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C19H23F3N2O3S2/c20-19(21,22)16-4-1-6-18(14-16)29(25,26)24(15-17-5-2-13-28-17)8-3-7-23-9-11-27-12-10-23/h1-2,4-6,13-14H,3,7-12,15H2
InChIKeySZMGQTIJKQYDFG-UHFFFAOYSA-N
XLogP3.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3242575
4-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006138
8-((4-Fluoro-3-methylphenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16803327
1-(4-fluorophenyl)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)methanesulfonamide
CID 16933201
4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4290332
4-Tert-butyl-N-[3-(morpholin-4-YL)propyl]-N-[(thiophen-2-YL)methyl]benzene-1-sulfonamide
CID 4547943
4-fluoro-3-methyl-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888307
3-fluoro-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933151
2,4-difluoro-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933157
4-fluoro-2-methyl-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933168
4-fluoro-3-methyl-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933169

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3242576) is N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1cccc(C(F)(F)F)c1)N(CCCN1CCOCC1)Cc1cccs1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SZMGQTIJKQYDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3S2/c20-19(21,22)16-4-1-6-18(14-16)29(25,26)24(15-17-5-2-13-28-17)8-3-7-23-9-11-27-12-10-23/h1-2,4-6,13-14H,3,7-12,15H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 448.53 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3242576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).