N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide

C16H24Cl2N4O3S — CID 34785448

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H24Cl2N4O3S/c1-19(2)26(24,25)22-8-6-21(7-9-22)12-16(23)20(3)11-13-4-5-14(17)15(18)10-13/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyVCBUXJUUKCNKIY-UHFFFAOYSA-N
MW423.37 g/mol
LogP1.38
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide

N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 34785448) has the molecular formula C16H24Cl2N4O3S and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID34785448
Molecular FormulaC16H24Cl2N4O3S
Molecular Weight423.37 g/mol
Exact Mass422.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C16H24Cl2N4O3S/c1-19(2)26(24,25)22-8-6-21(7-9-22)12-16(23)20(3)11-13-4-5-14(17)15(18)10-13/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyVCBUXJUUKCNKIY-UHFFFAOYSA-N
XLogP1.38
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853094
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 167749495
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773926
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125640
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750842
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 25163092
2-cyclopentylsulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78884662

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide (CID 34785448) is N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is VCBUXJUUKCNKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N4O3S/c1-19(2)26(24,25)22-8-6-21(7-9-22)12-16(23)20(3)11-13-4-5-14(17)15(18)10-13/h4-5,10H,6-9,11-12H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 423.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 34785448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).