N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C22H30N2O4S — CID 133252135

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-22(2,3)18-11-13-19(14-12-18)28-16-15-23-21(25)20(24(4)29(5,26)27)17-9-7-6-8-10-17/h6-14,20H,15-16H2,1-5H3,(H,23,25)
InChIKeyJJUKEHOFAWAVOG-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.11
Rot. Bonds8

About N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133252135) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133252135
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H30N2O4S/c1-22(2,3)18-11-13-19(14-12-18)28-16-15-23-21(25)20(24(4)29(5,26)27)17-9-7-6-8-10-17/h6-14,20H,15-16H2,1-5H3,(H,23,25)
InChIKeyJJUKEHOFAWAVOG-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]acetamide
CID 125072002
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 133165364
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
N-[2-(4-tert-butylphenoxy)ethyl]-2-methyl-2-methylsulfonylpropanamide
CID 56789229
N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133185593
(2S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100561256
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
N-[2-(4-tert-butylphenoxy)ethyl]-2-methylsulfonylbenzamide
CID 31308822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133252135) is N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN(C(C(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is JJUKEHOFAWAVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-22(2,3)18-11-13-19(14-12-18)28-16-15-23-21(25)20(24(4)29(5,26)27)17-9-7-6-8-10-17/h6-14,20H,15-16H2,1-5H3,(H,23,25).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 418.56 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133252135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).