(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide

C16H25FN2O4S — CID 8991472

IUPAC(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O4S/c1-12(2)23-11-5-10-18-16(20)13(3)19(24(4,21)22)15-8-6-14(17)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyZIWWDEHWPJIHNM-ZDUSSCGKSA-N
MW360.45 g/mol
LogP1.91
Rot. Bonds9

About (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide

(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 8991472) has the molecular formula C16H25FN2O4S and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID8991472
Molecular FormulaC16H25FN2O4S
Molecular Weight360.45 g/mol
Exact Mass360.15
IUPAC Name(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O4S/c1-12(2)23-11-5-10-18-16(20)13(3)19(24(4,21)22)15-8-6-14(17)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyZIWWDEHWPJIHNM-ZDUSSCGKSA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416716
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416717
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 124561221
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 19061986
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53281344
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133185289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide (CID 8991472) is (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is ZIWWDEHWPJIHNM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25FN2O4S/c1-12(2)23-11-5-10-18-16(20)13(3)19(24(4,21)22)15-8-6-14(17)7-9-15/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide?
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 360.45 g/mol, XLogP of 1.91, 9 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-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 8991472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).