2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide

C18H19FN2O4S — CID 58869133

IUPAC2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide
SMILESNC(=O)CNC[C@H]1CCc2ccc(S(=O)(=O)c3cccc(F)c3)cc2O1
InChIInChI=1S/C18H19FN2O4S/c19-13-2-1-3-15(8-13)26(23,24)16-7-5-12-4-6-14(25-17(12)9-16)10-21-11-18(20)22/h1-3,5,7-9,14,21H,4,6,10-11H2,(H2,20,22)/t14-/m1/s1
InChIKeyVJNVSCVTALVXAK-CQSZACIVSA-N
MW378.43 g/mol
LogP1.43
Rot. Bonds6

About 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide

2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide (PubChem CID 58869133) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide
PubChem CID58869133
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide
SMILESNC(=O)CNC[C@H]1CCc2ccc(S(=O)(=O)c3cccc(F)c3)cc2O1
InChIInChI=1S/C18H19FN2O4S/c19-13-2-1-3-15(8-13)26(23,24)16-7-5-12-4-6-14(25-17(12)9-16)10-21-11-18(20)22/h1-3,5,7-9,14,21H,4,6,10-11H2,(H2,20,22)/t14-/m1/s1
InChIKeyVJNVSCVTALVXAK-CQSZACIVSA-N
XLogP1.43
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide?
The IUPAC name of 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide (CID 58869133) is 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide?
The canonical SMILES for 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide is NC(=O)CNC[C@H]1CCc2ccc(S(=O)(=O)c3cccc(F)c3)cc2O1.
What is the InChIKey of 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide?
The InChIKey is VJNVSCVTALVXAK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-13-2-1-3-15(8-13)26(23,24)16-7-5-12-4-6-14(25-17(12)9-16)10-21-11-18(20)22/h1-3,5,7-9,14,21H,4,6,10-11H2,(H2,20,22)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide?
2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-2-yl]methylamino]acetamide is sourced from PubChem (CID 58869133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).