N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C27H30FN3O5S — CID 24980573

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)ccc1C
InChIInChI=1S/C27H30FN3O5S/c1-19-7-8-21(17-26(19)37(33,34)30-23-5-3-4-6-25(23)35-2)27(32)29-18-24(31-13-15-36-16-14-31)20-9-11-22(28)12-10-20/h3-12,17,24,30H,13-16,18H2,1-2H3,(H,29,32)
InChIKeyIEPOFWLYOBWUHS-UHFFFAOYSA-N
MW527.62 g/mol
LogP3.75
Rot. Bonds9

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 24980573) has the molecular formula C27H30FN3O5S and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID24980573
Molecular FormulaC27H30FN3O5S
Molecular Weight527.62 g/mol
Exact Mass527.19
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)ccc1C
InChIInChI=1S/C27H30FN3O5S/c1-19-7-8-21(17-26(19)37(33,34)30-23-5-3-4-6-25(23)35-2)27(32)29-18-24(31-13-15-36-16-14-31)20-9-11-22(28)12-10-20/h3-12,17,24,30H,13-16,18H2,1-2H3,(H,29,32)
InChIKeyIEPOFWLYOBWUHS-UHFFFAOYSA-N
XLogP3.75
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 24980573) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)ccc1C.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is IEPOFWLYOBWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5S/c1-19-7-8-21(17-26(19)37(33,34)30-23-5-3-4-6-25(23)35-2)27(32)29-18-24(31-13-15-36-16-14-31)20-9-11-22(28)12-10-20/h3-12,17,24,30H,13-16,18H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 527.62 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 24980573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).