2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide

C16H23FN2O4S — CID 113066159

IUPAC2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C16H23FN2O4S/c1-24(21,22)19(12-15-3-2-10-23-15)9-8-18-16(20)11-13-4-6-14(17)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyUXPIVBDJVQRMRE-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.93
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide (PubChem CID 113066159) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide
PubChem CID113066159
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C16H23FN2O4S/c1-24(21,22)19(12-15-3-2-10-23-15)9-8-18-16(20)11-13-4-6-14(17)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyUXPIVBDJVQRMRE-UHFFFAOYSA-N
XLogP0.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide (CID 113066159) is 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide is CS(=O)(=O)N(CCNC(=O)Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide?
The InChIKey is UXPIVBDJVQRMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-24(21,22)19(12-15-3-2-10-23-15)9-8-18-16(20)11-13-4-6-14(17)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]acetamide is sourced from PubChem (CID 113066159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).