3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide

C17H28N2O4S — CID 60596778

IUPAC3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(C)C(C)C
InChIInChI=1S/C17H28N2O4S/c1-8-19(13(4)12(2)3)17(20)14-9-10-15(23-7)16(11-14)24(21,22)18(5)6/h9-13H,8H2,1-7H3
InChIKeyNQUFCYZOFNUFNN-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.45
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide

3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide (PubChem CID 60596778) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
PubChem CID60596778
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(C)C(C)C
InChIInChI=1S/C17H28N2O4S/c1-8-19(13(4)12(2)3)17(20)14-9-10-15(23-7)16(11-14)24(21,22)18(5)6/h9-13H,8H2,1-7H3
InChIKeyNQUFCYZOFNUFNN-UHFFFAOYSA-N
XLogP2.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
3-(diethylsulfamoyl)-4-methoxy-N-pentyl-N-propan-2-ylbenzamide
CID 55601920
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109
[(Z)-pent-2-enyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 94448571
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-(cyclopentylmethyl)-3-(dimethylsulfamoyl)-4-methoxy-N-methylbenzamide
CID 52793193
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide (CID 60596778) is 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide is CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(C)C(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is NQUFCYZOFNUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-8-19(13(4)12(2)3)17(20)14-9-10-15(23-7)16(11-14)24(21,22)18(5)6/h9-13H,8H2,1-7H3.
What are the key properties of 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 356.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 60596778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).