2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide

C17H22FNO3S — CID 56783772

IUPAC2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H22FNO3S/c18-14-9-7-13(8-10-14)17(12-5-6-12)19-16(20)11-23(21,22)15-3-1-2-4-15/h7-10,12,15,17H,1-6,11H2,(H,19,20)
InChIKeyJVLSJJWSQFCPBD-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.75
Rot. Bonds6

About 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide

2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide (PubChem CID 56783772) has the molecular formula C17H22FNO3S and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide
PubChem CID56783772
Molecular FormulaC17H22FNO3S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCCC1)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H22FNO3S/c18-14-9-7-13(8-10-14)17(12-5-6-12)19-16(20)11-23(21,22)15-3-1-2-4-15/h7-10,12,15,17H,1-6,11H2,(H,19,20)
InChIKeyJVLSJJWSQFCPBD-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide (CID 56783772) is 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide is O=C(CS(=O)(=O)C1CCCC1)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide?
The InChIKey is JVLSJJWSQFCPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3S/c18-14-9-7-13(8-10-14)17(12-5-6-12)19-16(20)11-23(21,22)15-3-1-2-4-15/h7-10,12,15,17H,1-6,11H2,(H,19,20).
What are the key properties of 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide?
2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide has a molecular weight of 339.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-[cyclopropyl-(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 56783772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).