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

C14H16FN3O3S3 — CID 55335123

IUPAC2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1nccs1
InChIInChI=1S/C14H16FN3O3S3/c1-22-8-6-11(13(19)17-14-16-7-9-23-14)18-24(20,21)12-5-3-2-4-10(12)15/h2-5,7,9,11,18H,6,8H2,1H3,(H,16,17,19)
InChIKeyGLJXURFQSGCVCG-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.32
Rot. Bonds8

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

2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 55335123) has the molecular formula C14H16FN3O3S3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID55335123
Molecular FormulaC14H16FN3O3S3
Molecular Weight389.50 g/mol
Exact Mass389.03
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1nccs1
InChIInChI=1S/C14H16FN3O3S3/c1-22-8-6-11(13(19)17-14-16-7-9-23-14)18-24(20,21)12-5-3-2-4-10(12)15/h2-5,7,9,11,18H,6,8H2,1H3,(H,16,17,19)
InChIKeyGLJXURFQSGCVCG-UHFFFAOYSA-N
XLogP2.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 42906188
2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 24687371
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 26873336
(2S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 41104070
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
CID 55689276
N-(4-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 24537921
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-methyl-4-methylsulfanyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide
CID 135954327
2-methyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118306
2-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 9118307
N-[4-[[2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]furan-2-carboxamide
CID 55504531
(2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)butanamide
CID 40972842
2-[(2-fluorophenyl)sulfonylamino]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-methylsulfanylbutanamide
CID 55653859

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide (CID 55335123) is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide is CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)Nc1nccs1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is GLJXURFQSGCVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S3/c1-22-8-6-11(13(19)17-14-16-7-9-23-14)18-24(20,21)12-5-3-2-4-10(12)15/h2-5,7,9,11,18H,6,8H2,1H3,(H,16,17,19).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 389.50 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 55335123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).