2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C14H16FN3O3S2 — CID 110502529

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C14H16FN3O3S2/c1-3-12(13(19)17-14-16-9(2)8-22-14)18-23(20,21)11-6-4-10(15)5-7-11/h4-8,12,18H,3H2,1-2H3,(H,16,17,19)
InChIKeyXUBLPHWLRCAYTI-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.29
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide

2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 110502529) has the molecular formula C14H16FN3O3S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID110502529
Molecular FormulaC14H16FN3O3S2
Molecular Weight357.43 g/mol
Exact Mass357.06
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C14H16FN3O3S2/c1-3-12(13(19)17-14-16-9(2)8-22-14)18-23(20,21)11-6-4-10(15)5-7-11/h4-8,12,18H,3H2,1-2H3,(H,16,17,19)
InChIKeyXUBLPHWLRCAYTI-UHFFFAOYSA-N
XLogP2.29
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
CID 110499336
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499179
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
ethyl 2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]-4-phenylthiophene-3-carboxylate
CID 110502542
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
N-[4-(diethylamino)-2-methylphenyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499213
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
4-O-ethyl 2-O-propan-2-yl 5-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 110502584

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 110502529) is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is XUBLPHWLRCAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S2/c1-3-12(13(19)17-14-16-9(2)8-22-14)18-23(20,21)11-6-4-10(15)5-7-11/h4-8,12,18H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 357.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 110502529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).