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

C22H28N2O5S — CID 55408917

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H28N2O5S/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/h6-11,13,16,18,23H,4-5,12,14H2,1-3H3,(H,24,25)
InChIKeyYCLQLVDJAIQMPQ-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.95
Rot. Bonds8

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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55408917) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55408917
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H28N2O5S/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/h6-11,13,16,18,23H,4-5,12,14H2,1-3H3,(H,24,25)
InChIKeyYCLQLVDJAIQMPQ-UHFFFAOYSA-N
XLogP2.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55349787
4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 41277628
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193347
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55408917) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1ccc(C)cc1C(C)NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is YCLQLVDJAIQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/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/h6-11,13,16,18,23H,4-5,12,14H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 432.54 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55408917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).