(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide

C16H23F2N3O3S — CID 99132712

IUPAC(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H23F2N3O3S/c1-11(16(22)19-12-6-8-20(2)9-7-12)21(25(3,23)24)13-4-5-14(17)15(18)10-13/h4-5,10-12H,6-9H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyVQYYRUAAQINALP-NSHDSACASA-N
MW375.44 g/mol
LogP1.33
Rot. Bonds5

About (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 99132712) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID99132712
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC Name(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H23F2N3O3S/c1-11(16(22)19-12-6-8-20(2)9-7-12)21(25(3,23)24)13-4-5-14(17)15(18)10-13/h4-5,10-12H,6-9H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyVQYYRUAAQINALP-NSHDSACASA-N
XLogP1.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.33
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
(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118355
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 99131997
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95119189
2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 133219380
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide
CID 53285610
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 132659439
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100646941
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-pentan-3-ylpropanamide
CID 99132743
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100770363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide (CID 99132712) is (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide is C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is VQYYRUAAQINALP-NSHDSACASA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-11(16(22)19-12-6-8-20(2)9-7-12)21(25(3,23)24)13-4-5-14(17)15(18)10-13/h4-5,10-12H,6-9H2,1-3H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 375.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 99132712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).