(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide

C16H23Cl2N3O3S — CID 95118355

IUPAC(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H23Cl2N3O3S/c1-11(16(22)19-14-4-6-20(2)7-5-14)21(25(3,23)24)15-9-12(17)8-13(18)10-15/h8-11,14H,4-7H2,1-3H3,(H,19,22)/t11-/m1/s1
InChIKeyZPMPSDCBSUESGW-LLVKDONJSA-N
MW408.35 g/mol
LogP2.36
Rot. Bonds5

About (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide

(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 95118355) has the molecular formula C16H23Cl2N3O3S and a molecular weight of 408.35 g/mol. Its IUPAC name is (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID95118355
Molecular FormulaC16H23Cl2N3O3S
Molecular Weight408.35 g/mol
Exact Mass407.08
IUPAC Name(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H23Cl2N3O3S/c1-11(16(22)19-14-4-6-20(2)7-5-14)21(25(3,23)24)15-9-12(17)8-13(18)10-15/h8-11,14H,4-7H2,1-3H3,(H,19,22)/t11-/m1/s1
InChIKeyZPMPSDCBSUESGW-LLVKDONJSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118430
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118431
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 99132712
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95119189
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 99131997
(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125074003
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 41466602
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 8991594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide (CID 95118355) is (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide is C[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is ZPMPSDCBSUESGW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3S/c1-11(16(22)19-14-4-6-20(2)7-5-14)21(25(3,23)24)15-9-12(17)8-13(18)10-15/h8-11,14H,4-7H2,1-3H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 408.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 95118355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).