4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

C15H22N2O5S — CID 100829062

IUPAC4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H22N2O5S/c1-17(2)15(18)11-6-7-13(21-3)14(9-11)23(19,20)16-10-12-5-4-8-22-12/h6-7,9,12,16H,4-5,8,10H2,1-3H3/t12-/m1/s1
InChIKeyPNGTYFRHMLEHKN-GFCCVEGCSA-N
MW342.42 g/mol
LogP0.85
Rot. Bonds6

About 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 100829062) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID100829062
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H22N2O5S/c1-17(2)15(18)11-6-7-13(21-3)14(9-11)23(19,20)16-10-12-5-4-8-22-12/h6-7,9,12,16H,4-5,8,10H2,1-3H3/t12-/m1/s1
InChIKeyPNGTYFRHMLEHKN-GFCCVEGCSA-N
XLogP0.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 55983444
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991399
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
CID 100829067
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 100829062) is 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NC[C@H]1CCCO1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is PNGTYFRHMLEHKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-17(2)15(18)11-6-7-13(21-3)14(9-11)23(19,20)16-10-12-5-4-8-22-12/h6-7,9,12,16H,4-5,8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 342.42 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 100829062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).