ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate

C23H25NO5S — CID 40884931

IUPACethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C23H25NO5S/c1-4-29-23(25)15-20(17-11-9-16(2)10-12-17)24-30(26,27)22-14-13-21(28-3)18-7-5-6-8-19(18)22/h5-14,20,24H,4,15H2,1-3H3/t20-/m1/s1
InChIKeyGLNUKVCQRLGURV-HXUWFJFHSA-N
MW427.52 g/mol
LogP4.13
Rot. Bonds8

About ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate

ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate (PubChem CID 40884931) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
PubChem CID40884931
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Nameethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C23H25NO5S/c1-4-29-23(25)15-20(17-11-9-16(2)10-12-17)24-30(26,27)22-14-13-21(28-3)18-7-5-6-8-19(18)22/h5-14,20,24H,4,15H2,1-3H3/t20-/m1/s1
InChIKeyGLNUKVCQRLGURV-HXUWFJFHSA-N
XLogP4.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844788
ethyl 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(3-nitrophenyl)propanoate
CID 4664356
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl (3R)-3-[(2,5-diethoxyphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 41092589
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974
ethyl (3R)-3-[(3,4-dichloro-2-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 40850106
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 133184980
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
ethyl 3-[(2,5-dichloro-4-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3952917
ethyl (3R)-3-(4-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7044296
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The IUPAC name of ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate (CID 40884931) is ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate is CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc12)c1ccc(C)cc1.
What is the InChIKey of ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The InChIKey is GLNUKVCQRLGURV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-4-29-23(25)15-20(17-11-9-16(2)10-12-17)24-30(26,27)22-14-13-21(28-3)18-7-5-6-8-19(18)22/h5-14,20,24H,4,15H2,1-3H3/t20-/m1/s1.
What are the key properties of ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate?
ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate has a molecular weight of 427.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 40884931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).