N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide

C14H22N2O4S — CID 113070592

IUPACN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
SMILESCCOc1ccc(N(CCNC(=O)CC)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-14(17)15-10-11-16(21(3,18)19)12-6-8-13(9-7-12)20-5-2/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyZIMJMUUVCJACHB-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.38
Rot. Bonds8

About N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide

N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide (PubChem CID 113070592) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
PubChem CID113070592
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
SMILESCCOc1ccc(N(CCNC(=O)CC)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-14(17)15-10-11-16(21(3,18)19)12-6-8-13(9-7-12)20-5-2/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyZIMJMUUVCJACHB-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070637
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
ethyl 4-[methylsulfonyl-[2-(propanoylamino)ethyl]amino]benzoate
CID 113071784
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113070641
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
CID 113070611
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide?
The IUPAC name of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide (CID 113070592) is N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide?
The canonical SMILES for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide is CCOc1ccc(N(CCNC(=O)CC)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide?
The InChIKey is ZIMJMUUVCJACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-14(17)15-10-11-16(21(3,18)19)12-6-8-13(9-7-12)20-5-2/h6-9H,4-5,10-11H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide?
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide is sourced from PubChem (CID 113070592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).