N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide

C23H25F2N3O4S — CID 3182151

IUPACN-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide
SMILESO=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccccc1F)Nc1ccc(F)cc1
InChIInChI=1S/C23H25F2N3O4S/c24-16-9-11-18(12-10-16)27-22(30)14-33(32)15-23(31)28(20-8-4-3-7-19(20)25)13-21(29)26-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-15H2,(H,26,29)(H,27,30)
InChIKeyJXBBPAFZHMSXKV-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.74
Rot. Bonds9

About N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide

N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide (PubChem CID 3182151) has the molecular formula C23H25F2N3O4S and a molecular weight of 477.53 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide
PubChem CID3182151
Molecular FormulaC23H25F2N3O4S
Molecular Weight477.53 g/mol
Exact Mass477.15
IUPAC NameN-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide
SMILESO=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccccc1F)Nc1ccc(F)cc1
InChIInChI=1S/C23H25F2N3O4S/c24-16-9-11-18(12-10-16)27-22(30)14-33(32)15-23(31)28(20-8-4-3-7-19(20)25)13-21(29)26-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-15H2,(H,26,29)(H,27,30)
InChIKeyJXBBPAFZHMSXKV-UHFFFAOYSA-N
XLogP2.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide (CID 3182151) is N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide is O=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)c1ccccc1F)Nc1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
The InChIKey is JXBBPAFZHMSXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O4S/c24-16-9-11-18(12-10-16)27-22(30)14-33(32)15-23(31)28(20-8-4-3-7-19(20)25)13-21(29)26-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-15H2,(H,26,29)(H,27,30).
What are the key properties of N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide?
N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide has a molecular weight of 477.53 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-fluoro-N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]anilino)acetamide is sourced from PubChem (CID 3182151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).