2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide

C23H32FN3O4S — CID 650700

IUPAC2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide
SMILESO=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H32FN3O4S/c24-17-10-12-19(13-11-17)26-22(29)15-32(31)16-23(30)27(20-8-2-1-3-9-20)14-21(28)25-18-6-4-5-7-18/h10-13,18,20H,1-9,14-16H2,(H,25,28)(H,26,29)
InChIKeyRECBXVVQGFCOFQ-UHFFFAOYSA-N
MW465.59 g/mol
LogP2.73
Rot. Bonds9

About 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide

2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide (PubChem CID 650700) has the molecular formula C23H32FN3O4S and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide
PubChem CID650700
Molecular FormulaC23H32FN3O4S
Molecular Weight465.59 g/mol
Exact Mass465.21
IUPAC Name2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide
SMILESO=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H32FN3O4S/c24-17-10-12-19(13-11-17)26-22(29)15-32(31)16-23(30)27(20-8-2-1-3-9-20)14-21(28)25-18-6-4-5-7-18/h10-13,18,20H,1-9,14-16H2,(H,25,28)(H,26,29)
InChIKeyRECBXVVQGFCOFQ-UHFFFAOYSA-N
XLogP2.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide?
The IUPAC name of 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide (CID 650700) is 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide is O=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCCC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide?
The InChIKey is RECBXVVQGFCOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4S/c24-17-10-12-19(13-11-17)26-22(29)15-32(31)16-23(30)27(20-8-2-1-3-9-20)14-21(28)25-18-6-4-5-7-18/h10-13,18,20H,1-9,14-16H2,(H,25,28)(H,26,29).
What are the key properties of 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide?
2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide has a molecular weight of 465.59 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclopentylacetamide is sourced from PubChem (CID 650700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).