2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide

C15H18FN3O3S2 — CID 5179961

IUPAC2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S2/c1-2-3-9-19(11-14(20)18-15-17-8-10-23-15)24(21,22)13-6-4-12(16)5-7-13/h4-8,10H,2-3,9,11H2,1H3,(H,17,18,20)
InChIKeyFASNAAMDOFEFIN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.71
Rot. Bonds8

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

2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5179961) has the molecular formula C15H18FN3O3S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5179961
Molecular FormulaC15H18FN3O3S2
Molecular Weight371.46 g/mol
Exact Mass371.08
IUPAC Name2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3S2/c1-2-3-9-19(11-14(20)18-15-17-8-10-23-15)24(21,22)13-6-4-12(16)5-7-13/h4-8,10H,2-3,9,11H2,1H3,(H,17,18,20)
InChIKeyFASNAAMDOFEFIN-UHFFFAOYSA-N
XLogP2.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 4087394
2-[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 4219105
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 3942291
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814271
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3650792
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide (CID 5179961) is 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide is CCCCN(CC(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FASNAAMDOFEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S2/c1-2-3-9-19(11-14(20)18-15-17-8-10-23-15)24(21,22)13-6-4-12(16)5-7-13/h4-8,10H,2-3,9,11H2,1H3,(H,17,18,20).
What are the key properties of 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide?
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5179961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).