N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide

C22H27FN2O4S — CID 92681273

IUPACN-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-3-29-20-12-14-21(15-13-20)30(27,28)25(19-10-8-17(23)9-11-19)16-22(26)24(2)18-6-4-5-7-18/h8-15,18H,3-7,16H2,1-2H3
InChIKeyMTAGOKSYKAKNAM-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.82
Rot. Bonds8

About N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide

N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide (PubChem CID 92681273) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
PubChem CID92681273
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-3-29-20-12-14-21(15-13-20)30(27,28)25(19-10-8-17(23)9-11-19)16-22(26)24(2)18-6-4-5-7-18/h8-15,18H,3-7,16H2,1-2H3
InChIKeyMTAGOKSYKAKNAM-UHFFFAOYSA-N
XLogP3.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 38018575
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897196
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897141
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
CID 46764756
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43896648
2-[benzyl-[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-cyclopentylbutanamide
CID 132634621
N-cyclopentyl-2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132637263
(2R)-2-[benzyl-[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 125050540

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
The IUPAC name of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide (CID 92681273) is N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
The canonical SMILES for N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
The InChIKey is MTAGOKSYKAKNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-3-29-20-12-14-21(15-13-20)30(27,28)25(19-10-8-17(23)9-11-19)16-22(26)24(2)18-6-4-5-7-18/h8-15,18H,3-7,16H2,1-2H3.
What are the key properties of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide has a molecular weight of 434.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide is sourced from PubChem (CID 92681273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).