N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

C15H23ClN2O3S — CID 113153214

IUPACN-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)8-9-18(22(3,20)21)11-15(19)17-10-13-6-4-5-7-14(13)16/h4-7,12H,8-11H2,1-3H3,(H,17,19)
InChIKeyHECOOTAKOAKWIN-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.26
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (PubChem CID 113153214) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
PubChem CID113153214
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)8-9-18(22(3,20)21)11-15(19)17-10-13-6-4-5-7-14(13)16/h4-7,12H,8-11H2,1-3H3,(H,17,19)
InChIKeyHECOOTAKOAKWIN-UHFFFAOYSA-N
XLogP2.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153356
N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149983
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
N-[(2-methoxyphenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148464
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064354
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
N-[(2-chlorophenyl)methyl]-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126121425
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide
CID 100721116
N-benzyl-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141113
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (CID 113153214) is N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is CC(C)CCN(CC(=O)NCc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The InChIKey is HECOOTAKOAKWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-12(2)8-9-18(22(3,20)21)11-15(19)17-10-13-6-4-5-7-14(13)16/h4-7,12H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide has a molecular weight of 346.88 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113153214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).