2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

C22H27FN2O4S — CID 43896648

IUPAC2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-16-7-11-18(12-8-16)25(30(28,29)19-13-9-17(23)10-14-19)15-22(27)24(2)20-5-3-4-6-21(20)26/h7-14,20-21,26H,3-6,15H2,1-2H3
InChIKeyDWADEIHLALPTJC-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.09
Rot. Bonds6

About 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 43896648) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID43896648
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-16-7-11-18(12-8-16)25(30(28,29)19-13-9-17(23)10-14-19)15-22(27)24(2)20-5-3-4-6-21(20)26/h7-14,20-21,26H,3-6,15H2,1-2H3
InChIKeyDWADEIHLALPTJC-UHFFFAOYSA-N
XLogP3.09
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 43894224
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897196
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43894457
N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 38018575
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43892688
N-cyclohexyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30306216

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 43896648) is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is Cc1ccc(N(CC(=O)N(C)C2CCCCC2O)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is DWADEIHLALPTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-16-7-11-18(12-8-16)25(30(28,29)19-13-9-17(23)10-14-19)15-22(27)24(2)20-5-3-4-6-21(20)26/h7-14,20-21,26H,3-6,15H2,1-2H3.
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 434.53 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 43896648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).