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

C21H25FN2O4S — CID 1243288

IUPACN-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25FN2O4S/c1-2-28-19-11-13-20(14-12-19)29(26,27)24(18-9-7-16(22)8-10-18)15-21(25)23-17-5-3-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,23,25)
InChIKeyYRRXDYZICHFSHI-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.48
Rot. Bonds8

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

N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide (PubChem CID 1243288) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
PubChem CID1243288
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25FN2O4S/c1-2-28-19-11-13-20(14-12-19)29(26,27)24(18-9-7-16(22)8-10-18)15-21(25)23-17-5-3-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,23,25)
InChIKeyYRRXDYZICHFSHI-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2948005
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 26719840
4-Methoxy-N-{3-[4-(o-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42388975
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42389467
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-1-methyl-propyl}-benzenesulfonamide
CID 42635571
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
4-(4-Methoxy-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 1082645
N-(2-Fluoro-phenyl)-2-[4-(morpholine-4-sulfonyl)-phenoxy]-acetamide
CID 6457540

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide (CID 1243288) is N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide?
The InChIKey is YRRXDYZICHFSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-2-28-19-11-13-20(14-12-19)29(26,27)24(18-9-7-16(22)8-10-18)15-21(25)23-17-5-3-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,23,25).
What are the key properties of N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide?
N-cyclopentyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 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)acetamide is sourced from PubChem (CID 1243288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).