2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide

C20H26N2O4S — CID 132659215

IUPAC2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-15-10-12-18(13-11-15)26-19(6-2)20(23)21-16-8-7-9-17(14-16)22(3)27(4,24)25/h7-14,19H,5-6H2,1-4H3,(H,21,23)
InChIKeyJDRKGXMKJZQVFG-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.44
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide

2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide (PubChem CID 132659215) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
PubChem CID132659215
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-15-10-12-18(13-11-15)26-19(6-2)20(23)21-16-8-7-9-17(14-16)22(3)27(4,24)25/h7-14,19H,5-6H2,1-4H3,(H,21,23)
InChIKeyJDRKGXMKJZQVFG-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160487
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161652
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)butanamide
CID 133186860
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-propan-2-yloxyphenyl)butanamide
CID 133161996
4-[[(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100769036
(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100643823
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100545596
2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 132651293
ethyl 4-[[(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzoate
CID 100764730
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100766309

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide (CID 132659215) is 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide is CCc1ccc(OC(CC)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide?
The InChIKey is JDRKGXMKJZQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-15-10-12-18(13-11-15)26-19(6-2)20(23)21-16-8-7-9-17(14-16)22(3)27(4,24)25/h7-14,19H,5-6H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide?
2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide has a molecular weight of 390.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide is sourced from PubChem (CID 132659215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).