4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide

C18H21N3O5S — CID 67651367

IUPAC4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCOC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O5S/c19-16(22)7-8-18(23)21-9-10-26-12-17(21)20-27(24,25)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,17,20H,7-10,12H2,(H2,19,22)/t17-/m1/s1
InChIKeyGELDKQJUJXXNEP-QGZVFWFLSA-N
MW391.45 g/mol
LogP0.57
Rot. Bonds6

About 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide

4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide (PubChem CID 67651367) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide
PubChem CID67651367
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCOC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O5S/c19-16(22)7-8-18(23)21-9-10-26-12-17(21)20-27(24,25)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,17,20H,7-10,12H2,(H2,19,22)/t17-/m1/s1
InChIKeyGELDKQJUJXXNEP-QGZVFWFLSA-N
XLogP0.57
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide?
The IUPAC name of 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide (CID 67651367) is 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide?
The canonical SMILES for 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide is NC(=O)CCC(=O)N1CCOC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide?
The InChIKey is GELDKQJUJXXNEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O5S/c19-16(22)7-8-18(23)21-9-10-26-12-17(21)20-27(24,25)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,17,20H,7-10,12H2,(H2,19,22)/t17-/m1/s1.
What are the key properties of 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide?
4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide has a molecular weight of 391.45 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(naphthalen-2-ylsulfonylamino)morpholin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 67651367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).