N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C20H24Cl2N2O4S — CID 60603932

IUPACN-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S/c1-5-6-17(13-7-9-15(21)16(22)11-13)23-20(25)14-8-10-18(28-4)19(12-14)29(26,27)24(2)3/h7-12,17H,5-6H2,1-4H3,(H,23,25)
InChIKeyVABZTOREZHZPGN-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.52
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 60603932) has the molecular formula C20H24Cl2N2O4S and a molecular weight of 459.40 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID60603932
Molecular FormulaC20H24Cl2N2O4S
Molecular Weight459.40 g/mol
Exact Mass458.08
IUPAC NameN-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O4S/c1-5-6-17(13-7-9-15(21)16(22)11-13)23-20(25)14-8-10-18(28-4)19(12-14)29(26,27)24(2)3/h7-12,17H,5-6H2,1-4H3,(H,23,25)
InChIKeyVABZTOREZHZPGN-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 71934225
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
4-chloro-N-[1-(4-chlorophenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 24600801
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46655114
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
(3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 1267320
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 60603932) is N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is CCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is VABZTOREZHZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O4S/c1-5-6-17(13-7-9-15(21)16(22)11-13)23-20(25)14-8-10-18(28-4)19(12-14)29(26,27)24(2)3/h7-12,17H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 459.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 60603932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).