N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide

C17H27N3O3S — CID 97072442

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C17H27N3O3S/c1-13-7-5-9-16(14(13)2)18-17(21)12-19(3)15-8-6-10-20(11-15)24(4,22)23/h5,7,9,15H,6,8,10-12H2,1-4H3,(H,18,21)/t15-/m1/s1
InChIKeyLHBGGEWYFKRUOS-OAHLLOKOSA-N
MW353.49 g/mol
LogP1.60
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide (PubChem CID 97072442) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide
PubChem CID97072442
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C17H27N3O3S/c1-13-7-5-9-16(14(13)2)18-17(21)12-19(3)15-8-6-10-20(11-15)24(4,22)23/h5,7,9,15H,6,8,10-12H2,1-4H3,(H,18,21)/t15-/m1/s1
InChIKeyLHBGGEWYFKRUOS-OAHLLOKOSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113148924
2-[cyclopentyl(methyl)amino]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 51282081
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 11929445
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(2,3-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9195592
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98205725

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide (CID 97072442) is N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide is Cc1cccc(NC(=O)CN(C)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide?
The InChIKey is LHBGGEWYFKRUOS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-7-5-9-16(14(13)2)18-17(21)12-19(3)15-8-6-10-20(11-15)24(4,22)23/h5,7,9,15H,6,8,10-12H2,1-4H3,(H,18,21)/t15-/m1/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide is sourced from PubChem (CID 97072442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).