N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide

C20H26N2O4S — CID 108572799

IUPACN-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)17-9-11-18(12-10-17)26-16(3)20(23)21-13-14-22-27(24,25)19-7-5-4-6-8-19/h4-12,15-16,22H,13-14H2,1-3H3,(H,21,23)
InChIKeyZFACKYIWQXUXOL-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.67
Rot. Bonds9

About N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108572799) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108572799
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-15(2)17-9-11-18(12-10-17)26-16(3)20(23)21-13-14-22-27(24,25)19-7-5-4-6-8-19/h4-12,15-16,22H,13-14H2,1-3H3,(H,21,23)
InChIKeyZFACKYIWQXUXOL-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108572703
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51174507

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108572799) is N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is ZFACKYIWQXUXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)17-9-11-18(12-10-17)26-16(3)20(23)21-13-14-22-27(24,25)19-7-5-4-6-8-19/h4-12,15-16,22H,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108572799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).