N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C20H25ClN2O5S — CID 24552489

IUPACN-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25ClN2O5S/c1-23(2)29(25,26)19-14-15(6-11-18(19)27-3)20(24)22-12-4-5-13-28-17-9-7-16(21)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyDOOWJUCTBRSWSA-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.19
Rot. Bonds10

About N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 24552489) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID24552489
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC NameN-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25ClN2O5S/c1-23(2)29(25,26)19-14-15(6-11-18(19)27-3)20(24)22-12-4-5-13-28-17-9-7-16(21)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyDOOWJUCTBRSWSA-UHFFFAOYSA-N
XLogP3.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.19
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

N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 24552489) is N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is DOOWJUCTBRSWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-23(2)29(25,26)19-14-15(6-11-18(19)27-3)20(24)22-12-4-5-13-28-17-9-7-16(21)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 440.95 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 24552489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).