N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide

C18H20F2N2O3S — CID 30255712

IUPACN-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCC(C)(C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-18(2,3)21-17(23)12-22(15-8-4-13(19)5-9-15)26(24,25)16-10-6-14(20)7-11-16/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyVDHKVIRISDTQIT-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.07
Rot. Bonds5

About N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide

N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 30255712) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID30255712
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCC(C)(C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-18(2,3)21-17(23)12-22(15-8-4-13(19)5-9-15)26(24,25)16-10-6-14(20)7-11-16/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyVDHKVIRISDTQIT-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 4610141
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30249527
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 30255712) is N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide is CC(C)(C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is VDHKVIRISDTQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-18(2,3)21-17(23)12-22(15-8-4-13(19)5-9-15)26(24,25)16-10-6-14(20)7-11-16/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 382.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30255712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).