N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide

C14H21NO4S — CID 60533042

IUPACN-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide
SMILESCC(C)COCCNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H21NO4S/c1-11(2)10-19-9-8-15-14(16)12-6-4-5-7-13(12)20(3,17)18/h4-7,11H,8-10H2,1-3H3,(H,15,16)
InChIKeySRPUQANXVNPQAM-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide

N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide (PubChem CID 60533042) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide
PubChem CID60533042
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide
SMILESCC(C)COCCNC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H21NO4S/c1-11(2)10-19-9-8-15-14(16)12-6-4-5-7-13(12)20(3,17)18/h4-7,11H,8-10H2,1-3H3,(H,15,16)
InChIKeySRPUQANXVNPQAM-UHFFFAOYSA-N
XLogP1.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylaniline
CID 115641037
N-[2-(4-tert-butylphenoxy)ethyl]-2-methylsulfonylbenzamide
CID 31308822
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
2-[(4-chlorophenyl)methoxy]-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533123
1-amino-N-[2-(2-methylpropoxy)ethyl]isoquinoline-4-carboxamide
CID 106773007
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide (CID 60533042) is N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide is CC(C)COCCNC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide?
The InChIKey is SRPUQANXVNPQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(2)10-19-9-8-15-14(16)12-6-4-5-7-13(12)20(3,17)18/h4-7,11H,8-10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide?
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide has a molecular weight of 299.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 60533042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).