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

C23H29FN2O4S — CID 38018575

IUPACN-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H29FN2O4S/c1-3-30-21-13-15-22(16-14-21)31(28,29)26(20-11-9-18(24)10-12-20)17-23(27)25(2)19-7-5-4-6-8-19/h9-16,19H,3-8,17H2,1-2H3
InChIKeyJFIKQBCRTDACEZ-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.21
Rot. Bonds8

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

N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide (PubChem CID 38018575) has the molecular formula C23H29FN2O4S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
PubChem CID38018575
Molecular FormulaC23H29FN2O4S
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H29FN2O4S/c1-3-30-21-13-15-22(16-14-21)31(28,29)26(20-11-9-18(24)10-12-20)17-23(27)25(2)19-7-5-4-6-8-19/h9-16,19H,3-8,17H2,1-2H3
InChIKeyJFIKQBCRTDACEZ-UHFFFAOYSA-N
XLogP4.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide
CID 92681273
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-methylacetamide
CID 46764756
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
(2R)-2-[benzyl-[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 125050540
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
2-[benzyl-[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175773
(2S)-N-cyclohexyl-2-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100514449
N-cyclohexyl-2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132639759
(2S)-2-[benzyl-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100574063

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide (CID 38018575) is N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
The InChIKey is JFIKQBCRTDACEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4S/c1-3-30-21-13-15-22(16-14-21)31(28,29)26(20-11-9-18(24)10-12-20)17-23(27)25(2)19-7-5-4-6-8-19/h9-16,19H,3-8,17H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide?
N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide has a molecular weight of 448.56 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-methylacetamide is sourced from PubChem (CID 38018575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).