2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide

C23H25ClN2O4S — CID 133252039

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H25ClN2O4S/c1-16-8-10-20(15-22(16)24)26(31(3,28)29)17(2)23(27)25-12-13-30-21-11-9-18-6-4-5-7-19(18)14-21/h4-11,14-15,17H,12-13H2,1-3H3,(H,25,27)
InChIKeyACIZBAWJOJYCTO-UHFFFAOYSA-N
MW460.98 g/mol
LogP4.15
Rot. Bonds8

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide (PubChem CID 133252039) has the molecular formula C23H25ClN2O4S and a molecular weight of 460.98 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
PubChem CID133252039
Molecular FormulaC23H25ClN2O4S
Molecular Weight460.98 g/mol
Exact Mass460.12
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H25ClN2O4S/c1-16-8-10-20(15-22(16)24)26(31(3,28)29)17(2)23(27)25-12-13-30-21-11-9-18-6-4-5-7-19(18)14-21/h4-11,14-15,17H,12-13H2,1-3H3,(H,25,27)
InChIKeyACIZBAWJOJYCTO-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 54.15
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

(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125088242
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132667602
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
CID 125078154
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252034
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125079417
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185401
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220575
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125086273
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165986
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133240721
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132671710

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide (CID 133252039) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide is Cc1ccc(N(C(C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
The InChIKey is ACIZBAWJOJYCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4S/c1-16-8-10-20(15-22(16)24)26(31(3,28)29)17(2)23(27)25-12-13-30-21-11-9-18-6-4-5-7-19(18)14-21/h4-11,14-15,17H,12-13H2,1-3H3,(H,25,27).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide has a molecular weight of 460.98 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide is sourced from PubChem (CID 133252039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).