N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C20H24Cl2N2O4S2 — CID 133184165

IUPACN-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S2/c1-14(28-17-7-5-16(6-8-17)24(2)30(3,26)27)20(25)23-10-11-29-13-15-4-9-18(21)19(22)12-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyOGDDGVNXYJHBKP-UHFFFAOYSA-N
MW491.46 g/mol
LogP4.21
Rot. Bonds10

About N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 133184165) has the molecular formula C20H24Cl2N2O4S2 and a molecular weight of 491.46 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID133184165
Molecular FormulaC20H24Cl2N2O4S2
Molecular Weight491.46 g/mol
Exact Mass490.06
IUPAC NameN-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S2/c1-14(28-17-7-5-16(6-8-17)24(2)30(3,26)27)20(25)23-10-11-29-13-15-4-9-18(21)19(22)12-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25)
InChIKeyOGDDGVNXYJHBKP-UHFFFAOYSA-N
XLogP4.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxyphenoxy)propanamide
CID 92684620
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100623528
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100768119
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100656988
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2S)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 30380590
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100563070
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100665578

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 133184165) is N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is CC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is OGDDGVNXYJHBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S2/c1-14(28-17-7-5-16(6-8-17)24(2)30(3,26)27)20(25)23-10-11-29-13-15-4-9-18(21)19(22)12-15/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 491.46 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 133184165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).