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

C14H15FN4O4S2 — CID 40808896

IUPAC(2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C14H15FN4O4S2/c1-8(19-25(22,23)11-5-3-2-4-10(11)15)13(21)18-14-17-9(7-24-14)6-12(16)20/h2-5,7-8,19H,6H2,1H3,(H2,16,20)(H,17,18,21)/t8-/m0/s1
InChIKeyBNYIDDYHTCPLDQ-QMMMGPOBSA-N
MW386.43 g/mol
LogP0.62
Rot. Bonds7

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

(2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 40808896) has the molecular formula C14H15FN4O4S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID40808896
Molecular FormulaC14H15FN4O4S2
Molecular Weight386.43 g/mol
Exact Mass386.05
IUPAC Name(2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C14H15FN4O4S2/c1-8(19-25(22,23)11-5-3-2-4-10(11)15)13(21)18-14-17-9(7-24-14)6-12(16)20/h2-5,7-8,19H,6H2,1H3,(H2,16,20)(H,17,18,21)/t8-/m0/s1
InChIKeyBNYIDDYHTCPLDQ-QMMMGPOBSA-N
XLogP0.62
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide with MolForge

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
4-[2-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55941708
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)propanamide
CID 51258071
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24584497
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 42906188
2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 25484811
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 51258049
N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55942057
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 51258070

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (CID 40808896) is (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CC(N)=O)cs1.
What is the InChIKey of (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is BNYIDDYHTCPLDQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15FN4O4S2/c1-8(19-25(22,23)11-5-3-2-4-10(11)15)13(21)18-14-17-9(7-24-14)6-12(16)20/h2-5,7-8,19H,6H2,1H3,(H2,16,20)(H,17,18,21)/t8-/m0/s1.
What are the key properties of (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 386.43 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 40808896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).