3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide

C18H30N2O3S — CID 60539379

IUPAC3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H30N2O3S/c1-6-19(7-2)11-12-20(14-15(3)4)24(22,23)18-10-8-9-17(13-18)16(5)21/h8-10,13,15H,6-7,11-12,14H2,1-5H3
InChIKeyMYWFFTJEOPLZBL-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.88
Rot. Bonds10

About 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide

3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 60539379) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID60539379
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H30N2O3S/c1-6-19(7-2)11-12-20(14-15(3)4)24(22,23)18-10-8-9-17(13-18)16(5)21/h8-10,13,15H,6-7,11-12,14H2,1-5H3
InChIKeyMYWFFTJEOPLZBL-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539740
3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 78970274
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
3-chloro-4-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 52708051
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide (CID 60539379) is 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide is CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is MYWFFTJEOPLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-6-19(7-2)11-12-20(14-15(3)4)24(22,23)18-10-8-9-17(13-18)16(5)21/h8-10,13,15H,6-7,11-12,14H2,1-5H3.
What are the key properties of 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 60539379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).