(2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide

C17H18FN3O3S — CID 7211191

IUPAC(2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)N/N=C\c1ccccc1F)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H18FN3O3S/c1-13(21(25(2,23)24)15-9-4-3-5-10-15)17(22)20-19-12-14-8-6-7-11-16(14)18/h3-13H,1-2H3,(H,20,22)/b19-12-/t13-/m1/s1
InChIKeyDOCPFTVRVFWATE-CQLSMYGBSA-N
MW363.41 g/mol
LogP2.13
Rot. Bonds6

About (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide

(2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 7211191) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide
PubChem CID7211191
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name(2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)N/N=C\c1ccccc1F)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H18FN3O3S/c1-13(21(25(2,23)24)15-9-4-3-5-10-15)17(22)20-19-12-14-8-6-7-11-16(14)18/h3-13H,1-2H3,(H,20,22)/b19-12-/t13-/m1/s1
InChIKeyDOCPFTVRVFWATE-CQLSMYGBSA-N
XLogP2.13
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide
CID 7275439
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 136900641
2-[(Z)-[[(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 126032111
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 3783564
(2R)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide
CID 40567563
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(N-methylsulfonylanilino)propanamide
CID 40566756
(2S)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126034810
(2S)-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-methylsulfonylanilino)propanamide
CID 9498435
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 92684693

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide (CID 7211191) is (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide is C[C@H](C(=O)N/N=C\c1ccccc1F)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is DOCPFTVRVFWATE-CQLSMYGBSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-13(21(25(2,23)24)15-9-4-3-5-10-15)17(22)20-19-12-14-8-6-7-11-16(14)18/h3-13H,1-2H3,(H,20,22)/b19-12-/t13-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide?
(2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 363.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 7211191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).