N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

C26H28FN3O4S — CID 43021327

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H28FN3O4S/c1-19-7-12-24(35(32,33)29-22-10-8-21(27)9-11-22)15-25(19)26(31)28-16-23-18-30(13-14-34-23)17-20-5-3-2-4-6-20/h2-12,15,23,29H,13-14,16-18H2,1H3,(H,28,31)
InChIKeyWMYCWHJGWLOBKL-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.57
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 43021327) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID43021327
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H28FN3O4S/c1-19-7-12-24(35(32,33)29-22-10-8-21(27)9-11-22)15-25(19)26(31)28-16-23-18-30(13-14-34-23)17-20-5-3-2-4-6-20/h2-12,15,23,29H,13-14,16-18H2,1H3,(H,28,31)
InChIKeyWMYCWHJGWLOBKL-UHFFFAOYSA-N
XLogP3.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
3-(4-benzylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 26535449
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 55659551
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 43019329
N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2,5-dihydroxybenzamide
CID 126678400
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
1-[[4-(benzenesulfonamido)phenyl]methyl]-3-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea;dihydrate
CID 69068169
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27809540

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 43021327) is N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is WMYCWHJGWLOBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-19-7-12-24(35(32,33)29-22-10-8-21(27)9-11-22)15-25(19)26(31)28-16-23-18-30(13-14-34-23)17-20-5-3-2-4-6-20/h2-12,15,23,29H,13-14,16-18H2,1H3,(H,28,31).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 497.59 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 43021327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).