(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide

C17H19FN2O3S2 — CID 40965051

IUPAC(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S2/c1-12(17(21)19-15-6-4-5-7-16(15)24-2)20(25(3,22)23)14-10-8-13(18)9-11-14/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyCXEKGRHRVGASSA-LBPRGKRZSA-N
MW382.48 g/mol
LogP3.34
Rot. Bonds6

About (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide

(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 40965051) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID40965051
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S2/c1-12(17(21)19-15-6-4-5-7-16(15)24-2)20(25(3,22)23)14-10-8-13(18)9-11-14/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyCXEKGRHRVGASSA-LBPRGKRZSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 7342420
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991418
N-(2-methylsulfanylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132669487
(2S)-N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 8991456
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 99954361
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 99132009
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 53285804
(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30390281
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide (CID 40965051) is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is CXEKGRHRVGASSA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c1-12(17(21)19-15-6-4-5-7-16(15)24-2)20(25(3,22)23)14-10-8-13(18)9-11-14/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide?
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 382.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 40965051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).