4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C25H29N3O5S — CID 31443585

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C25H29N3O5S/c1-19-4-6-20(7-5-19)24(18-28-12-15-32-16-13-28)27-25(29)21-8-10-23(11-9-21)34(30,31)26-17-22-3-2-14-33-22/h2-11,14,24,26H,12-13,15-18H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyLYQQCBSODYRCMP-XMMPIXPASA-N
MW483.59 g/mol
LogP2.87
Rot. Bonds9

About 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 31443585) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID31443585
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
InChIInChI=1S/C25H29N3O5S/c1-19-4-6-20(7-5-19)24(18-28-12-15-32-16-13-28)27-25(29)21-8-10-23(11-9-21)34(30,31)26-17-22-3-2-14-33-22/h2-11,14,24,26H,12-13,15-18H2,1H3,(H,27,29)/t24-/m1/s1
InChIKeyLYQQCBSODYRCMP-XMMPIXPASA-N
XLogP2.87
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55439968
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41189111
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444660
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574382
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 31909479
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 31443585) is 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is LYQQCBSODYRCMP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-19-4-6-20(7-5-19)24(18-28-12-15-32-16-13-28)27-25(29)21-8-10-23(11-9-21)34(30,31)26-17-22-3-2-14-33-22/h2-11,14,24,26H,12-13,15-18H2,1H3,(H,27,29)/t24-/m1/s1.
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 483.59 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 31443585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).