(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide

C16H24FN3O3S — CID 99131997

IUPAC(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H24FN3O3S/c1-12(16(21)18-13-8-10-19(2)11-9-13)20(24(3,22)23)15-7-5-4-6-14(15)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyFJKWXNTXOMQNCM-LBPRGKRZSA-N
MW357.45 g/mol
LogP1.19
Rot. Bonds5

About (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide

(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 99131997) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID99131997
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H24FN3O3S/c1-12(16(21)18-13-8-10-19(2)11-9-13)20(24(3,22)23)15-7-5-4-6-14(15)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeyFJKWXNTXOMQNCM-LBPRGKRZSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 99132712
(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
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166753
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166882
(2S)-N-(2,5-dimethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99132038
(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131742
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95119189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide (CID 99131997) is (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide is C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is FJKWXNTXOMQNCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-12(16(21)18-13-8-10-19(2)11-9-13)20(24(3,22)23)15-7-5-4-6-14(15)17/h4-7,12-13H,8-11H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide?
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 99131997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).