N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

C14H20Cl2N2O3S — CID 113153356

IUPACN-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)7-8-18(22(3,20)21)9-13(19)17-14-11(15)5-4-6-12(14)16/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeyDRHBFWYTYDYPMA-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.24
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (PubChem CID 113153356) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
PubChem CID113153356
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)7-8-18(22(3,20)21)9-13(19)17-14-11(15)5-4-6-12(14)16/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeyDRHBFWYTYDYPMA-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153214
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
N-(2,6-dichlorophenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150398
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113153366
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[3-methylbutyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4105604
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148609
N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153343
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183
2-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113153332

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (CID 113153356) is N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is CC(C)CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The InChIKey is DRHBFWYTYDYPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-10(2)7-8-18(22(3,20)21)9-13(19)17-14-11(15)5-4-6-12(14)16/h4-6,10H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide has a molecular weight of 367.30 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113153356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).