4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

C26H31N3O5S — CID 31444791

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)cc2)c1
InChIInChI=1S/C26H31N3O5S/c1-18-4-5-19(2)25(16-18)35(31,32)28-22-9-7-21(8-10-22)26(30)27-17-23(24-11-6-20(3)34-24)29-12-14-33-15-13-29/h4-11,16,23,28H,12-15,17H2,1-3H3,(H,27,30)/t23-/m1/s1
InChIKeyXRLQMAMOZJDFFF-HSZRJFAPSA-N
MW497.62 g/mol
LogP3.81
Rot. Bonds8

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 31444791) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID31444791
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)cc2)c1
InChIInChI=1S/C26H31N3O5S/c1-18-4-5-19(2)25(16-18)35(31,32)28-22-9-7-21(8-10-22)26(30)27-17-23(24-11-6-20(3)34-24)29-12-14-33-15-13-29/h4-11,16,23,28H,12-15,17H2,1-3H3,(H,27,30)/t23-/m1/s1
InChIKeyXRLQMAMOZJDFFF-HSZRJFAPSA-N
XLogP3.81
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide with MolForge

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43044296
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 32707883
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 24643824
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55452162
2-methyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,3-benzoxazole-6-carboxamide
CID 99942348
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 31444791) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)cc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is XRLQMAMOZJDFFF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-18-4-5-19(2)25(16-18)35(31,32)28-22-9-7-21(8-10-22)26(30)27-17-23(24-11-6-20(3)34-24)29-12-14-33-15-13-29/h4-11,16,23,28H,12-15,17H2,1-3H3,(H,27,30)/t23-/m1/s1.
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 497.62 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 31444791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).