2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide

C21H28N2O4S — CID 133165364

IUPAC2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccccc1OCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-16(2)18-12-8-9-13-19(18)27-15-14-22-21(24)20(23(3)28(4,25)26)17-10-6-5-7-11-17/h5-13,16,20H,14-15H2,1-4H3,(H,22,24)
InChIKeyMETQNDLYBUOHSM-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.94
Rot. Bonds9

About 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide

2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide (PubChem CID 133165364) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
PubChem CID133165364
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
SMILESCC(C)c1ccccc1OCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-16(2)18-12-8-9-13-19(18)27-15-14-22-21(24)20(23(3)28(4,25)26)17-10-6-5-7-11-17/h5-13,16,20H,14-15H2,1-4H3,(H,22,24)
InChIKeyMETQNDLYBUOHSM-UHFFFAOYSA-N
XLogP2.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.94
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
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165223
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165321
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]acetamide
CID 125072002
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 125054382
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165331
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 94848393
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165258

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide (CID 133165364) is 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide is CC(C)c1ccccc1OCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
The InChIKey is METQNDLYBUOHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16(2)18-12-8-9-13-19(18)27-15-14-22-21(24)20(23(3)28(4,25)26)17-10-6-5-7-11-17/h5-13,16,20H,14-15H2,1-4H3,(H,22,24).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide?
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide is sourced from PubChem (CID 133165364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).