ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate

C20H25NO4S — CID 5009964

IUPACethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25NO4S/c1-5-25-19(22)18(15-9-7-6-8-10-15)21-26(23,24)17-13-11-16(12-14-17)20(2,3)4/h6-14,18,21H,5H2,1-4H3
InChIKeyKVHBNYRJTQPWBJ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.57
Rot. Bonds6

About ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate

ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate (PubChem CID 5009964) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
PubChem CID5009964
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Nameethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25NO4S/c1-5-25-19(22)18(15-9-7-6-8-10-15)21-26(23,24)17-13-11-16(12-14-17)20(2,3)4/h6-14,18,21H,5H2,1-4H3
InChIKeyKVHBNYRJTQPWBJ-UHFFFAOYSA-N
XLogP3.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
ethyl 2-phenyl-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3840083
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl 2-[(4-iodophenyl)sulfonylamino]-2-phenylacetate
CID 3676370
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
ethyl 2-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-oxopropanoate
CID 141300159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate (CID 5009964) is ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate is CCOC(=O)C(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate?
The InChIKey is KVHBNYRJTQPWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-5-25-19(22)18(15-9-7-6-8-10-15)21-26(23,24)17-13-11-16(12-14-17)20(2,3)4/h6-14,18,21H,5H2,1-4H3.
What are the key properties of ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate?
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate has a molecular weight of 375.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 5009964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).