N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C22H35N3O5S — CID 24646172

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC(C)O1
InChIInChI=1S/C22H35N3O5S/c1-16-13-25(14-17(2)30-16)22(3,4)15-23-21(26)18-7-9-20(10-8-18)31(27,28)24-12-19-6-5-11-29-19/h7-10,16-17,19,24H,5-6,11-15H2,1-4H3,(H,23,26)
InChIKeyUFEQYVWHWDQWKQ-UHFFFAOYSA-N
MW453.61 g/mol
LogP1.76
Rot. Bonds8

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24646172) has the molecular formula C22H35N3O5S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24646172
Molecular FormulaC22H35N3O5S
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC(C)O1
InChIInChI=1S/C22H35N3O5S/c1-16-13-25(14-17(2)30-16)22(3,4)15-23-21(26)18-7-9-20(10-8-18)31(27,28)24-12-19-6-5-11-29-19/h7-10,16-17,19,24H,5-6,11-15H2,1-4H3,(H,23,26)
InChIKeyUFEQYVWHWDQWKQ-UHFFFAOYSA-N
XLogP1.76
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
4-(benzenesulfonamido)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 25325612
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55475277
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24646172) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is CC1CN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is UFEQYVWHWDQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5S/c1-16-13-25(14-17(2)30-16)22(3,4)15-23-21(26)18-7-9-20(10-8-18)31(27,28)24-12-19-6-5-11-29-19/h7-10,16-17,19,24H,5-6,11-15H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 453.61 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24646172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).