5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide

C16H26N2O3S — CID 78777279

IUPAC5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C
InChIInChI=1S/C16H26N2O3S/c1-6-17(7-2)16(19)15-12-14(11-10-13(15)5)22(20,21)18(8-3)9-4/h10-12H,6-9H2,1-5H3
InChIKeyZKDBCWWKPKWIND-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.51
Rot. Bonds7

About 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide

5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide (PubChem CID 78777279) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
PubChem CID78777279
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C
InChIInChI=1S/C16H26N2O3S/c1-6-17(7-2)16(19)15-12-14(11-10-13(15)5)22(20,21)18(8-3)9-4/h10-12H,6-9H2,1-5H3
InChIKeyZKDBCWWKPKWIND-UHFFFAOYSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 86998664
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide
CID 24655700
3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N,N-diethyl-4-methylbenzenesulfonamide
CID 120655575
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide (CID 78777279) is 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide is CCN(CC)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C.
What is the InChIKey of 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide?
The InChIKey is ZKDBCWWKPKWIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-17(7-2)16(19)15-12-14(11-10-13(15)5)22(20,21)18(8-3)9-4/h10-12H,6-9H2,1-5H3.
What are the key properties of 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide?
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide has a molecular weight of 326.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide is sourced from PubChem (CID 78777279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).