N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C23H23FN2O4S2 — CID 25388249

IUPACN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C23H23FN2O4S2/c1-16-4-9-19(32(28,29)26-10-12-30-13-11-26)15-20(16)23(27)25-22(21-3-2-14-31-21)17-5-7-18(24)8-6-17/h2-9,14-15,22H,10-13H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyQZDYKDOOUSHUOS-QFIPXVFZSA-N
MW474.58 g/mol
LogP3.74
Rot. Bonds6

About N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 25388249) has the molecular formula C23H23FN2O4S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID25388249
Molecular FormulaC23H23FN2O4S2
Molecular Weight474.58 g/mol
Exact Mass474.11
IUPAC NameN-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C23H23FN2O4S2/c1-16-4-9-19(32(28,29)26-10-12-30-13-11-26)15-20(16)23(27)25-22(21-3-2-14-31-21)17-5-7-18(24)8-6-17/h2-9,14-15,22H,10-13H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyQZDYKDOOUSHUOS-QFIPXVFZSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2713189
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41041499
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969032
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 41077425
5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 24613765
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]morpholine-4-sulfonamide
CID 51335598
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8856465
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55903780
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43885091
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 25388249) is N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QZDYKDOOUSHUOS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23FN2O4S2/c1-16-4-9-19(32(28,29)26-10-12-30-13-11-26)15-20(16)23(27)25-22(21-3-2-14-31-21)17-5-7-18(24)8-6-17/h2-9,14-15,22H,10-13H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 474.58 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 25388249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).