3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide

C15H24N2O4S — CID 99614970

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1cc(C(=O)NOC(C)(C)C)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C15H24N2O4S/c1-10-8-12(14(18)16-21-15(3,4)5)9-13(11(10)2)22(19,20)17(6)7/h8-9H,1-7H3,(H,16,18)
InChIKeyIAYHCDRQKRLHGL-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.01
Rot. Bonds4

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 99614970) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID99614970
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1cc(C(=O)NOC(C)(C)C)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C15H24N2O4S/c1-10-8-12(14(18)16-21-15(3,4)5)9-13(11(10)2)22(19,20)17(6)7/h8-9H,1-7H3,(H,16,18)
InChIKeyIAYHCDRQKRLHGL-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(dimethylsulfamoyl)-4,5-dimethylbenzoate
CID 86921528
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
CID 78794431
3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
CID 46522058
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 30550464
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541
N-(5-carbamoyl-2-methoxyphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55783419
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
tert-butyl 4-[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]piperazine-1-carboxylate
CID 46685805
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
CID 30272949
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237996

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 99614970) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide is Cc1cc(C(=O)NOC(C)(C)C)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is IAYHCDRQKRLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-10-8-12(14(18)16-21-15(3,4)5)9-13(11(10)2)22(19,20)17(6)7/h8-9H,1-7H3,(H,16,18).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 328.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 99614970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).