ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate

C24H27NO5S — CID 40844788

IUPACethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC)c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C24H27NO5S/c1-4-29-22-14-15-23(20-9-7-6-8-19(20)22)31(27,28)25-21(16-24(26)30-5-2)18-12-10-17(3)11-13-18/h6-15,21,25H,4-5,16H2,1-3H3/t21-/m0/s1
InChIKeyYZHXQCRRSHZEGV-NRFANRHFSA-N
MW441.55 g/mol
LogP4.52
Rot. Bonds9

About ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate

ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate (PubChem CID 40844788) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
PubChem CID40844788
Molecular FormulaC24H27NO5S
Molecular Weight441.55 g/mol
Exact Mass441.16
IUPAC Nameethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC)c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C24H27NO5S/c1-4-29-22-14-15-23(20-9-7-6-8-19(20)22)31(27,28)25-21(16-24(26)30-5-2)18-12-10-17(3)11-13-18/h6-15,21,25H,4-5,16H2,1-3H3/t21-/m0/s1
InChIKeyYZHXQCRRSHZEGV-NRFANRHFSA-N
XLogP4.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40884931
ethyl (3R)-3-[(2,5-diethoxyphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 41092589
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
ethyl 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(3-nitrophenyl)propanoate
CID 4664356
ethyl (3R)-3-(4-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7044296
N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide
CID 71852690
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
ethyl 3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164862354
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate (CID 40844788) is ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate is CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC)c2ccccc12)c1ccc(C)cc1.
What is the InChIKey of ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The InChIKey is YZHXQCRRSHZEGV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27NO5S/c1-4-29-22-14-15-23(20-9-7-6-8-19(20)22)31(27,28)25-21(16-24(26)30-5-2)18-12-10-17(3)11-13-18/h6-15,21,25H,4-5,16H2,1-3H3/t21-/m0/s1.
What are the key properties of ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate has a molecular weight of 441.55 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 40844788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).