2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

C15H21Cl2N3O3S — CID 50946237

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-19-8-6-11(7-9-19)18-14(21)10-20(24(2,22)23)13-5-3-4-12(16)15(13)17/h3-5,11H,6-10H2,1-2H3,(H,18,21)
InChIKeyREFVQMVHTXBDAV-UHFFFAOYSA-N
MW394.32 g/mol
LogP1.97
Rot. Bonds5

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 50946237) has the molecular formula C15H21Cl2N3O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID50946237
Molecular FormulaC15H21Cl2N3O3S
Molecular Weight394.32 g/mol
Exact Mass393.07
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-19-8-6-11(7-9-19)18-14(21)10-20(24(2,22)23)13-5-3-4-12(16)15(13)17/h3-5,11H,6-10H2,1-2H3,(H,18,21)
InChIKeyREFVQMVHTXBDAV-UHFFFAOYSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 50945576
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99971213
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946845
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1317655
N-cyclopentyl-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]propanamide
CID 132634587
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (CID 50946237) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is REFVQMVHTXBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S/c1-19-8-6-11(7-9-19)18-14(21)10-20(24(2,22)23)13-5-3-4-12(16)15(13)17/h3-5,11H,6-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 394.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 50946237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).