2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide

C22H23ClN2O4S — CID 133220477

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESCC(C(=O)NCCOc1cccc2ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C22H23ClN2O4S/c1-16(25(30(2,27)28)19-10-6-9-18(23)15-19)22(26)24-13-14-29-21-12-5-8-17-7-3-4-11-20(17)21/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)
InChIKeyNKVUWAGXGHTWKC-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.84
Rot. Bonds8

About 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide

2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide (PubChem CID 133220477) has the molecular formula C22H23ClN2O4S and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
PubChem CID133220477
Molecular FormulaC22H23ClN2O4S
Molecular Weight446.96 g/mol
Exact Mass446.11
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESCC(C(=O)NCCOc1cccc2ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C22H23ClN2O4S/c1-16(25(30(2,27)28)19-10-6-9-18(23)15-19)22(26)24-13-14-29-21-12-5-8-17-7-3-4-11-20(17)21/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)
InChIKeyNKVUWAGXGHTWKC-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.84
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-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220575
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 132667606
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165258
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 133185468
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133165887
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165986
N-[2-(2-tert-butylphenoxy)ethyl]-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 133252152
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165892
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide (CID 133220477) is 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide is CC(C(=O)NCCOc1cccc2ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The InChIKey is NKVUWAGXGHTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4S/c1-16(25(30(2,27)28)19-10-6-9-18(23)15-19)22(26)24-13-14-29-21-12-5-8-17-7-3-4-11-20(17)21/h3-12,15-16H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide has a molecular weight of 446.96 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide is sourced from PubChem (CID 133220477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).