(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide

C13H14FN3O3S2 — CID 46388558

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cscn1
InChIInChI=1S/C13H14FN3O3S2/c1-9(13(18)15-6-11-7-21-8-16-11)17-22(19,20)12-4-2-10(14)3-5-12/h2-5,7-9,17H,6H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyMJEDWAFIRLYCNW-VIFPVBQESA-N
MW343.41 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 46388558) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID46388558
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cscn1
InChIInChI=1S/C13H14FN3O3S2/c1-9(13(18)15-6-11-7-21-8-16-11)17-22(19,20)12-4-2-10(14)3-5-12/h2-5,7-9,17H,6H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyMJEDWAFIRLYCNW-VIFPVBQESA-N
XLogP1.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191814
(2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 46388557
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370496
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 5181222
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 49399124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 46388558) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cscn1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is MJEDWAFIRLYCNW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c1-9(13(18)15-6-11-7-21-8-16-11)17-22(19,20)12-4-2-10(14)3-5-12/h2-5,7-9,17H,6H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 46388558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).