N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

C13H18Cl2N2O3S — CID 113148609

IUPACN-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)7-17(21(3,19)20)8-13(18)16-10-4-5-11(14)12(15)6-10/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyWPNZYIHTTVVZFJ-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.85
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (PubChem CID 113148609) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
PubChem CID113148609
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC NameN-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C13H18Cl2N2O3S/c1-9(2)7-17(21(3,19)20)8-13(18)16-10-4-5-11(14)12(15)6-10/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyWPNZYIHTTVVZFJ-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838290
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
N-(3,4-dichlorophenyl)-2-[diethylsulfamoyl(methyl)amino]acetamide
CID 31070757
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
2-[4-[[2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]acetyl]amino]phenyl]acetamide
CID 100797562
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (CID 113148609) is N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is CC(C)CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The InChIKey is WPNZYIHTTVVZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-9(2)7-17(21(3,19)20)8-13(18)16-10-4-5-11(14)12(15)6-10/h4-6,9H,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide has a molecular weight of 353.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113148609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).