N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide

C21H30N2O4S — CID 10272739

IUPACN-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide
SMILESCCCC(=O)NCCOc1ccc2cc(CCNS(=O)(=O)C(C)C)ccc2c1
InChIInChI=1S/C21H30N2O4S/c1-4-5-21(24)22-12-13-27-20-9-8-18-14-17(6-7-19(18)15-20)10-11-23-28(25,26)16(2)3/h6-9,14-16,23H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyZOXTZNBAADCTKL-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.01
Rot. Bonds11

About N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide

N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide (PubChem CID 10272739) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide.

Molecular Properties

Compound NameN-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide
PubChem CID10272739
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide
SMILESCCCC(=O)NCCOc1ccc2cc(CCNS(=O)(=O)C(C)C)ccc2c1
InChIInChI=1S/C21H30N2O4S/c1-4-5-21(24)22-12-13-27-20-9-8-18-14-17(6-7-19(18)15-20)10-11-23-28(25,26)16(2)3/h6-9,14-16,23H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyZOXTZNBAADCTKL-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.01
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

N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
N-[2-(4-ethylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133164555
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844
N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide
CID 100502728
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
CID 113103032
7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide
CID 3690697
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide?
The IUPAC name of N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide (CID 10272739) is N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide.
What is the SMILES notation for N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide?
The canonical SMILES for N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide is CCCC(=O)NCCOc1ccc2cc(CCNS(=O)(=O)C(C)C)ccc2c1.
What is the InChIKey of N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide?
The InChIKey is ZOXTZNBAADCTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-4-5-21(24)22-12-13-27-20-9-8-18-14-17(6-7-19(18)15-20)10-11-23-28(25,26)16(2)3/h6-9,14-16,23H,4-5,10-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide?
N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide has a molecular weight of 406.55 g/mol, XLogP of 3.01, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-(propan-2-ylsulfonylamino)ethyl]naphthalen-2-yl]oxyethyl]butanamide is sourced from PubChem (CID 10272739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).