tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate

C14H17N3O3S — CID 15342494

IUPACtert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1csc2ncccc12
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)20-13(19)16-7-11(18)17-10-8-21-12-9(10)5-4-6-15-12/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGTICZDIDLPJMBA-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate (PubChem CID 15342494) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
PubChem CID15342494
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Nametert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1csc2ncccc12
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)20-13(19)16-7-11(18)17-10-8-21-12-9(10)5-4-6-15-12/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGTICZDIDLPJMBA-UHFFFAOYSA-N
XLogP2.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
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tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
tert-butyl N-[2-[2-[[(E)-but-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
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tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate
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tert-butyl N-(1-benzothiophen-3-yl)carbamate
CID 13182768
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate
CID 139629976

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate (CID 15342494) is tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1csc2ncccc12.
What is the InChIKey of tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate?
The InChIKey is GTICZDIDLPJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-14(2,3)20-13(19)16-7-11(18)17-10-8-21-12-9(10)5-4-6-15-12/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate has a molecular weight of 307.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 15342494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).