tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate

C18H23NO4S — CID 24813471

IUPACtert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(O)C(COCc1ccccc1)c1cccs1
InChIInChI=1S/C18H23NO4S/c1-18(2,3)23-17(20)19(21)15(16-10-7-11-24-16)13-22-12-14-8-5-4-6-9-14/h4-11,15,21H,12-13H2,1-3H3
InChIKeySRTLWOQTYXKKAP-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.63
Rot. Bonds6

About tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate

tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate (PubChem CID 24813471) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate
PubChem CID24813471
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Nametert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(O)C(COCc1ccccc1)c1cccs1
InChIInChI=1S/C18H23NO4S/c1-18(2,3)23-17(20)19(21)15(16-10-7-11-24-16)13-22-12-14-8-5-4-6-9-14/h4-11,15,21H,12-13H2,1-3H3
InChIKeySRTLWOQTYXKKAP-UHFFFAOYSA-N
XLogP4.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate (CID 24813471) is tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate is CC(C)(C)OC(=O)N(O)C(COCc1ccccc1)c1cccs1.
What is the InChIKey of tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate?
The InChIKey is SRTLWOQTYXKKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-18(2,3)23-17(20)19(21)15(16-10-7-11-24-16)13-22-12-14-8-5-4-6-9-14/h4-11,15,21H,12-13H2,1-3H3.
What are the key properties of tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate?
tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate has a molecular weight of 349.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(2-phenylmethoxy-1-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 24813471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).