2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C14H18FNO4S — CID 94087831

IUPAC2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc(F)c1)NC[C@H]1CCCO1
InChIInChI=1S/C14H18FNO4S/c15-12-4-1-3-11(7-12)9-21(18,19)10-14(17)16-8-13-5-2-6-20-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,16,17)/t13-/m1/s1
InChIKeyCEORTNMQHFZSJQ-CYBMUJFWSA-N
MW315.37 g/mol
LogP1.04
Rot. Bonds6

About 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 94087831) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID94087831
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1cccc(F)c1)NC[C@H]1CCCO1
InChIInChI=1S/C14H18FNO4S/c15-12-4-1-3-11(7-12)9-21(18,19)10-14(17)16-8-13-5-2-6-20-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,16,17)/t13-/m1/s1
InChIKeyCEORTNMQHFZSJQ-CYBMUJFWSA-N
XLogP1.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43958313
3-fluoro-N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93329337
1-[(3-fluorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136641
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluorophenoxy)acetate
CID 2369928
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111136643
1-[(3-fluorophenyl)methyl]-1-methyl-3-(oxolan-2-ylmethyl)thiourea
CID 16554021
2-(2-aminoethylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
CID 82179993
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8021390
N-[(3-fluorophenyl)methyl]-3-methoxy-N-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93291337

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 94087831) is 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CS(=O)(=O)Cc1cccc(F)c1)NC[C@H]1CCCO1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CEORTNMQHFZSJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FNO4S/c15-12-4-1-3-11(7-12)9-21(18,19)10-14(17)16-8-13-5-2-6-20-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,16,17)/t13-/m1/s1.
What are the key properties of 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 94087831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).