3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide

C15H23N3O5S — CID 100829067

IUPAC3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCCC(=O)N(C)C
InChIInChI=1S/C15H23N3O5S/c1-17(2)14(19)8-9-16-24(21,22)13-10-11(15(20)18(3)4)6-7-12(13)23-5/h6-7,10,16H,8-9H2,1-5H3
InChIKeyUEKAAWVSXUBEOR-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.15
Rot. Bonds7

About 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide

3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide (PubChem CID 100829067) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
PubChem CID100829067
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCCC(=O)N(C)C
InChIInChI=1S/C15H23N3O5S/c1-17(2)14(19)8-9-16-24(21,22)13-10-11(15(20)18(3)4)6-7-12(13)23-5/h6-7,10,16H,8-9H2,1-5H3
InChIKeyUEKAAWVSXUBEOR-UHFFFAOYSA-N
XLogP0.15
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N,N-dimethyl-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100829062
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
CID 39454552
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
3-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]propanoic acid
CID 120820491
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 18590758
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide (CID 100829067) is 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide is COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCCC(=O)N(C)C.
What is the InChIKey of 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is UEKAAWVSXUBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-17(2)14(19)8-9-16-24(21,22)13-10-11(15(20)18(3)4)6-7-12(13)23-5/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide?
3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 100829067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).