4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide

C20H24Cl2N2O5S — CID 100500855

IUPAC4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
SMILESCOc1cccc(OCCNC(=O)CCCN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C20H24Cl2N2O5S/c1-28-15-6-3-7-16(14-15)29-13-11-23-19(25)10-5-12-24(30(2,26)27)18-9-4-8-17(21)20(18)22/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,23,25)
InChIKeyKFWAQTSRSPOIRD-UHFFFAOYSA-N
MW475.39 g/mol
LogP3.74
Rot. Bonds11

About 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide

4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide (PubChem CID 100500855) has the molecular formula C20H24Cl2N2O5S and a molecular weight of 475.39 g/mol. Its IUPAC name is 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
PubChem CID100500855
Molecular FormulaC20H24Cl2N2O5S
Molecular Weight475.39 g/mol
Exact Mass474.08
IUPAC Name4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
SMILESCOc1cccc(OCCNC(=O)CCCN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C20H24Cl2N2O5S/c1-28-15-6-3-7-16(14-15)29-13-11-23-19(25)10-5-12-24(30(2,26)27)18-9-4-8-17(21)20(18)22/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,23,25)
InChIKeyKFWAQTSRSPOIRD-UHFFFAOYSA-N
XLogP3.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100500128
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100707968
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 46449388
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(3-methylphenoxy)ethyl]-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501876
4-[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 100504848
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100671561
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide?
The IUPAC name of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide (CID 100500855) is 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide.
What is the SMILES notation for 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide?
The canonical SMILES for 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide is COc1cccc(OCCNC(=O)CCCN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1.
What is the InChIKey of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide?
The InChIKey is KFWAQTSRSPOIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O5S/c1-28-15-6-3-7-16(14-15)29-13-11-23-19(25)10-5-12-24(30(2,26)27)18-9-4-8-17(21)20(18)22/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,23,25).
What are the key properties of 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide?
4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide has a molecular weight of 475.39 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide is sourced from PubChem (CID 100500855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).