ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate

C20H25NO5S — CID 10834308

IUPACethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
SMILESCCOC(=O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO5S/c1-3-26-20(22)16-21(15-7-10-17-8-5-4-6-9-17)27(23,24)19-13-11-18(25-2)12-14-19/h4-6,8-9,11-14H,3,7,10,15-16H2,1-2H3
InChIKeyCSULSIRWCXRJJP-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.88
Rot. Bonds10

About ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate

ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate (PubChem CID 10834308) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
PubChem CID10834308
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Nameethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
SMILESCCOC(=O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO5S/c1-3-26-20(22)16-21(15-7-10-17-8-5-4-6-9-17)27(23,24)19-13-11-18(25-2)12-14-19/h4-6,8-9,11-14H,3,7,10,15-16H2,1-2H3
InChIKeyCSULSIRWCXRJJP-UHFFFAOYSA-N
XLogP2.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
CID 10691967
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 71902529
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-phenylpropyl)benzenesulfonamide
CID 50788403
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(propan-2-ylideneamino)acetamide
CID 21211450
ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
CID 42807608
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531336

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate (CID 10834308) is ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate is CCOC(=O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate?
The InChIKey is CSULSIRWCXRJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-3-26-20(22)16-21(15-7-10-17-8-5-4-6-9-17)27(23,24)19-13-11-18(25-2)12-14-19/h4-6,8-9,11-14H,3,7,10,15-16H2,1-2H3.
What are the key properties of ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate?
ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate has a molecular weight of 391.49 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate is sourced from PubChem (CID 10834308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).