N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide

C18H29NO3S — CID 60621557

IUPACN-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide
SMILESCCC(CC)CN(CC)C(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C18H29NO3S/c1-6-15(7-2)13-19(8-3)18(20)16-11-9-10-12-17(16)23(21,22)14(4)5/h9-12,14-15H,6-8,13H2,1-5H3
InChIKeyPBMHVRKASSMQSM-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.77
Rot. Bonds8

About N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide

N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide (PubChem CID 60621557) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide
PubChem CID60621557
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC NameN-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide
SMILESCCC(CC)CN(CC)C(=O)c1ccccc1S(=O)(=O)C(C)C
InChIInChI=1S/C18H29NO3S/c1-6-15(7-2)13-19(8-3)18(20)16-11-9-10-12-17(16)23(21,22)14(4)5/h9-12,14-15H,6-8,13H2,1-5H3
InChIKeyPBMHVRKASSMQSM-UHFFFAOYSA-N
XLogP3.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-ethylbutyl)-2-propylsulfonylbenzamide
CID 60621588
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43117020
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 103752405
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide
CID 39914084
3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide
CID 115548734
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
N-(2-amino-2-methylpropyl)-2-propan-2-ylsulfonylbenzamide;hydrochloride
CID 119629770
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095
N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 126809231

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide (CID 60621557) is N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide is CCC(CC)CN(CC)C(=O)c1ccccc1S(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide?
The InChIKey is PBMHVRKASSMQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-6-15(7-2)13-19(8-3)18(20)16-11-9-10-12-17(16)23(21,22)14(4)5/h9-12,14-15H,6-8,13H2,1-5H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide?
N-ethyl-N-(2-ethylbutyl)-2-propan-2-ylsulfonylbenzamide has a molecular weight of 339.50 g/mol, XLogP of 3.77, 8 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-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 60621557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).