2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide

C25H30N2O4S — CID 133252048

IUPAC2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
SMILESCCC(C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C25H30N2O4S/c1-5-23(27(32(4,29)30)24-16-18(2)10-11-19(24)3)25(28)26-14-15-31-22-13-12-20-8-6-7-9-21(20)17-22/h6-13,16-17,23H,5,14-15H2,1-4H3,(H,26,28)
InChIKeyUDZNCVMAMSWSQW-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.20
Rot. Bonds9

About 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide (PubChem CID 133252048) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
PubChem CID133252048
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
SMILESCCC(C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(C)ccc1C)S(C)(=O)=O
InChIInChI=1S/C25H30N2O4S/c1-5-23(27(32(4,29)30)24-16-18(2)10-11-19(24)3)25(28)26-14-15-31-22-13-12-20-8-6-7-9-21(20)17-22/h6-13,16-17,23H,5,14-15H2,1-4H3,(H,26,28)
InChIKeyUDZNCVMAMSWSQW-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.20
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

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166143
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165331
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133231241
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125086273
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132666284
(2R)-N-[2-(2,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125071864
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252039
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 132659636
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660106
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 125063438

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide (CID 133252048) is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The canonical SMILES for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide is CCC(C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(C)ccc1C)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The InChIKey is UDZNCVMAMSWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-5-23(27(32(4,29)30)24-16-18(2)10-11-19(24)3)25(28)26-14-15-31-22-13-12-20-8-6-7-9-21(20)17-22/h6-13,16-17,23H,5,14-15H2,1-4H3,(H,26,28).
What are the key properties of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide has a molecular weight of 454.59 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide is sourced from PubChem (CID 133252048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).