2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide

C17H18FNO4S — CID 70892010

IUPAC2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)c2ccc([C@H](C)NC(=O)CF)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-12(19-17(20)11-18)13-3-7-15(8-4-13)24(21,22)16-9-5-14(23-2)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyMZVKRSYKKMHYBR-LBPRGKRZSA-N
MW351.40 g/mol
LogP2.67
Rot. Bonds6

About 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide

2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide (PubChem CID 70892010) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide
PubChem CID70892010
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)c2ccc([C@H](C)NC(=O)CF)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-12(19-17(20)11-18)13-3-7-15(8-4-13)24(21,22)16-9-5-14(23-2)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyMZVKRSYKKMHYBR-LBPRGKRZSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide?
The IUPAC name of 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide (CID 70892010) is 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide is COc1ccc(S(=O)(=O)c2ccc([C@H](C)NC(=O)CF)cc2)cc1.
What is the InChIKey of 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide?
The InChIKey is MZVKRSYKKMHYBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-12(19-17(20)11-18)13-3-7-15(8-4-13)24(21,22)16-9-5-14(23-2)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide?
2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide is sourced from PubChem (CID 70892010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).