4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C22H24N2O5S — CID 41277628

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H24N2O5S/c1-15-6-11-21(28-3)20(13-15)16(2)24-22(25)17-7-9-19(10-8-17)30(26,27)23-14-18-5-4-12-29-18/h4-13,16,23H,14H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyAXOUJIHXFCUHSX-MRXNPFEDSA-N
MW428.51 g/mol
LogP3.57
Rot. Bonds8

About 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 41277628) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID41277628
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H24N2O5S/c1-15-6-11-21(28-3)20(13-15)16(2)24-22(25)17-7-9-19(10-8-17)30(26,27)23-14-18-5-4-12-29-18/h4-13,16,23H,14H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyAXOUJIHXFCUHSX-MRXNPFEDSA-N
XLogP3.57
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55408917
methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55439968
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3533023
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262776
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 41277628) is 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is AXOUJIHXFCUHSX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-15-6-11-21(28-3)20(13-15)16(2)24-22(25)17-7-9-19(10-8-17)30(26,27)23-14-18-5-4-12-29-18/h4-13,16,23H,14H2,1-3H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 428.51 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 4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 41277628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).