N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide

C15H21FN2O4S — CID 94488951

IUPACN-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O4S/c16-13-5-3-12(4-6-13)11-18-23(20,21)9-7-17-15(19)10-14-2-1-8-22-14/h3-6,14,18H,1-2,7-11H2,(H,17,19)/t14-/m0/s1
InChIKeyROENPKLZHAWUQP-AWEZNQCLSA-N
MW344.41 g/mol
LogP0.93
Rot. Bonds8

About N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 94488951) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID94488951
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC NameN-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O4S/c16-13-5-3-12(4-6-13)11-18-23(20,21)9-7-17-15(19)10-14-2-1-8-22-14/h3-6,14,18H,1-2,7-11H2,(H,17,19)/t14-/m0/s1
InChIKeyROENPKLZHAWUQP-AWEZNQCLSA-N
XLogP0.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 94175675
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide
CID 95158538
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119723698
3-[4-[[[2-(oxolan-2-yl)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 77057744
N-[2-(4-fluorophenyl)sulfonylethyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 99715935
N-[2-(4-fluorophenyl)sulfonylethyl]-2-morpholin-2-ylacetamide
CID 77088465
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(oxan-2-yl)acetamide
CID 110624165
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
CID 47036071
2-(4-fluorophenyl)-N-[2-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]acetamide
CID 110916851
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 94488951) is N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)NCCS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is ROENPKLZHAWUQP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c16-13-5-3-12(4-6-13)11-18-23(20,21)9-7-17-15(19)10-14-2-1-8-22-14/h3-6,14,18H,1-2,7-11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94488951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).