[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C20H18ClNO4S — CID 7906485

IUPAC[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C20H18ClNO4S/c1-14(18-8-4-5-9-19(18)21)26-20(23)13-22-27(24,25)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyOUTCKTYFTVYDOL-AWEZNQCLSA-N
MW403.89 g/mol
LogP4.08
Rot. Bonds6

About [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 7906485) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID7906485
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C20H18ClNO4S/c1-14(18-8-4-5-9-19(18)21)26-20(23)13-22-27(24,25)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyOUTCKTYFTVYDOL-AWEZNQCLSA-N
XLogP4.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881788
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906445
(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 2431733
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499700
1-(4-fluorophenyl)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 18281091
[(1S)-1-(2-chlorophenyl)ethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 41104549
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 4833546
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794901
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439
[(1R)-1-(2-chlorophenyl)ethyl] butanoate
CID 141384028

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 7906485) is [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is C[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is OUTCKTYFTVYDOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-14(18-8-4-5-9-19(18)21)26-20(23)13-22-27(24,25)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14,22H,13H2,1H3/t14-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 403.89 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 7906485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).