N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide

C20H26N2O5S — CID 133229418

IUPACN-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCOc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-4-19(22(28(3,24)25)16-9-6-5-7-10-16)20(23)21-13-14-27-18-12-8-11-17(15-18)26-2/h5-12,15,19H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyBSHOLMMFVCUFAL-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.43
Rot. Bonds10

About N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide

N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide (PubChem CID 133229418) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
PubChem CID133229418
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCOc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-4-19(22(28(3,24)25)16-9-6-5-7-10-16)20(23)21-13-14-27-18-12-8-11-17(15-18)26-2/h5-12,15,19H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyBSHOLMMFVCUFAL-UHFFFAOYSA-N
XLogP2.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
CID 133229509
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185396
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
CID 132670026
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133231241
N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132672273
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
CID 95118832
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]butanamide
CID 133229529
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125079417

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide (CID 133229418) is N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide is CCC(C(=O)NCCOc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide?
The InChIKey is BSHOLMMFVCUFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-19(22(28(3,24)25)16-9-6-5-7-10-16)20(23)21-13-14-27-18-12-8-11-17(15-18)26-2/h5-12,15,19H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide?
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide has a molecular weight of 406.50 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133229418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).