2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide

C20H24Cl2N2O4S — CID 133165986

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1C
InChIInChI=1S/C20H24Cl2N2O4S/c1-13-6-5-7-19(14(13)2)28-11-10-23-20(25)15(3)24(29(4,26)27)16-8-9-17(21)18(22)12-16/h5-9,12,15H,10-11H2,1-4H3,(H,23,25)
InChIKeyRDPZSGKZFCSZMP-UHFFFAOYSA-N
MW459.40 g/mol
LogP3.96
Rot. Bonds8

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide (PubChem CID 133165986) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
PubChem CID133165986
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1C
InChIInChI=1S/C20H24Cl2N2O4S/c1-13-6-5-7-19(14(13)2)28-11-10-23-20(25)15(3)24(29(4,26)27)16-8-9-17(21)18(22)12-16/h5-9,12,15H,10-11H2,1-4H3,(H,23,25)
InChIKeyRDPZSGKZFCSZMP-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 53.96
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-dimethyl-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165892
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]butanamide
CID 133165997
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133165891
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220575
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133165887
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165900
(2R)-N-[2-(2,3-dimethylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125081967
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 133185468
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 132667602
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252039
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220477
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
CID 125078154

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide (CID 133165986) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide is Cc1cccc(OCCNC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1C.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide?
The InChIKey is RDPZSGKZFCSZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c1-13-6-5-7-19(14(13)2)28-11-10-23-20(25)15(3)24(29(4,26)27)16-8-9-17(21)18(22)12-16/h5-9,12,15H,10-11H2,1-4H3,(H,23,25).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide has a molecular weight of 459.40 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133165986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).