N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide

C18H29NO3S — CID 60621588

IUPACN-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(CC)CC(CC)CC
InChIInChI=1S/C18H29NO3S/c1-5-13-23(21,22)17-12-10-9-11-16(17)18(20)19(8-4)14-15(6-2)7-3/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyPXMSIOCXGNDVRW-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.77
Rot. Bonds9

About N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide

N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide (PubChem CID 60621588) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
PubChem CID60621588
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC NameN-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N(CC)CC(CC)CC
InChIInChI=1S/C18H29NO3S/c1-5-13-23(21,22)17-12-10-9-11-16(17)18(20)19(8-4)14-15(6-2)7-3/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyPXMSIOCXGNDVRW-UHFFFAOYSA-N
XLogP3.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide
CID 60621557
N-ethyl-N-[(3-fluorophenyl)methyl]-2-propylsulfonylbenzamide
CID 55669173
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
2-[2-(dimethylamino)ethylsulfonyl]-N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 97252565
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-methyl-N-(4-methylphenyl)-2-propylsulfonylbenzamide
CID 52850935
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide (CID 60621588) is N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)N(CC)CC(CC)CC.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide?
The InChIKey is PXMSIOCXGNDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-5-13-23(21,22)17-12-10-9-11-16(17)18(20)19(8-4)14-15(6-2)7-3/h9-12,15H,5-8,13-14H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide?
N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide has a molecular weight of 339.50 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide is sourced from PubChem (CID 60621588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).