2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide

C18H21FN2O3S — CID 3371561

IUPAC2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14(2)12-20-18(22)13-21(16-6-4-3-5-7-16)25(23,24)17-10-8-15(19)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyYTVBNCXDIRPQPN-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.79
Rot. Bonds7

About 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 3371561) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
PubChem CID3371561
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14(2)12-20-18(22)13-21(16-6-4-3-5-7-16)25(23,24)17-10-8-15(19)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyYTVBNCXDIRPQPN-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
N-(2-benzylbutyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 43898709
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058135
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46771883
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057159
2-[(4-fluorophenyl)methyl-[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132736954
2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide (CID 3371561) is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is YTVBNCXDIRPQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14(2)12-20-18(22)13-21(16-6-4-3-5-7-16)25(23,24)17-10-8-15(19)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide?
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3371561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).