N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide

C22H21FN2O4S2 — CID 46566179

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21FN2O4S2/c23-18-8-6-16(7-9-18)21(20-5-2-14-30-20)24-22(26)17-3-1-4-19(15-17)31(27,28)25-10-12-29-13-11-25/h1-9,14-15,21H,10-13H2,(H,24,26)
InChIKeyOLKIVGVWVCBOHA-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.43
Rot. Bonds6

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46566179) has the molecular formula C22H21FN2O4S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46566179
Molecular FormulaC22H21FN2O4S2
Molecular Weight460.55 g/mol
Exact Mass460.09
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21FN2O4S2/c23-18-8-6-16(7-9-18)21(20-5-2-14-30-20)24-22(26)17-3-1-4-19(15-17)31(27,28)25-10-12-29-13-11-25/h1-9,14-15,21H,10-13H2,(H,24,26)
InChIKeyOLKIVGVWVCBOHA-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 25388249
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]morpholine-4-sulfonamide
CID 51335598
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 39968266
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 25334099

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 46566179) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide is O=C(NC(c1ccc(F)cc1)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OLKIVGVWVCBOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S2/c23-18-8-6-16(7-9-18)21(20-5-2-14-30-20)24-22(26)17-3-1-4-19(15-17)31(27,28)25-10-12-29-13-11-25/h1-9,14-15,21H,10-13H2,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 460.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46566179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).