4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

C20H26ClN3O6S — CID 55452162

IUPAC4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H26ClN3O6S/c1-14-4-7-18(30-14)17(24-8-10-29-11-9-24)13-22-20(25)15-5-6-16(21)19(12-15)31(26,27)23(2)28-3/h4-7,12,17H,8-11,13H2,1-3H3,(H,22,25)
InChIKeyCISZUVLZVKNUAU-UHFFFAOYSA-N
MW471.96 g/mol
LogP2.23
Rot. Bonds8

About 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 55452162) has the molecular formula C20H26ClN3O6S and a molecular weight of 471.96 g/mol. Its IUPAC name is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID55452162
Molecular FormulaC20H26ClN3O6S
Molecular Weight471.96 g/mol
Exact Mass471.12
IUPAC Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)ccc1Cl
InChIInChI=1S/C20H26ClN3O6S/c1-14-4-7-18(30-14)17(24-8-10-29-11-9-24)13-22-20(25)15-5-6-16(21)19(12-15)31(26,27)23(2)28-3/h4-7,12,17H,8-11,13H2,1-3H3,(H,22,25)
InChIKeyCISZUVLZVKNUAU-UHFFFAOYSA-N
XLogP2.23
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.96
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 25402275
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 126423370
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55452026
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
1-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24643806
2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
CID 99942348
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 55452162) is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is CISZUVLZVKNUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O6S/c1-14-4-7-18(30-14)17(24-8-10-29-11-9-24)13-22-20(25)15-5-6-16(21)19(12-15)31(26,27)23(2)28-3/h4-7,12,17H,8-11,13H2,1-3H3,(H,22,25).
What are the key properties of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 471.96 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 55452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).