N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

C12H14N2O4S — CID 106240619

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESNC(=O)COCCNC(=O)c1csc(C#CCO)c1
InChIInChI=1S/C12H14N2O4S/c13-11(16)7-18-5-3-14-12(17)9-6-10(19-8-9)2-1-4-15/h6,8,15H,3-5,7H2,(H2,13,16)(H,14,17)
InChIKeyYPZDHVBZBSORNL-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.68
Rot. Bonds6

About N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (PubChem CID 106240619) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
PubChem CID106240619
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESNC(=O)COCCNC(=O)c1csc(C#CCO)c1
InChIInChI=1S/C12H14N2O4S/c13-11(16)7-18-5-3-14-12(17)9-6-10(19-8-9)2-1-4-15/h6,8,15H,3-5,7H2,(H2,13,16)(H,14,17)
InChIKeyYPZDHVBZBSORNL-UHFFFAOYSA-N
XLogP-0.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 79690422
5-(3-hydroxyprop-1-ynyl)-N-(3-sulfamoylpropyl)thiophene-3-carboxamide
CID 79696498
N-(3-amino-3-oxopropyl)-5-(3-aminoprop-1-ynyl)thiophene-3-carboxamide
CID 79683930
5-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]thiophene-3-carboxamide
CID 83115426
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfonylpropyl)thiophene-3-carboxamide
CID 79696359
N-(5-amino-5-oxopentyl)-5-(4-hydroxybut-1-ynyl)thiophene-3-carboxamide
CID 106240594
5-(3-hydroxyprop-1-ynyl)-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-carboxamide
CID 106432441
5-(3-hydroxyprop-1-ynyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79693657
5-(3-aminoprop-1-ynyl)-N-(3-methoxypropyl)thiophene-3-carboxamide
CID 79684582
5-(3-hydroxyprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696892
N-[2-(ethylsulfamoyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106342102
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 106240624

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (CID 106240619) is N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is NC(=O)COCCNC(=O)c1csc(C#CCO)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The InChIKey is YPZDHVBZBSORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c13-11(16)7-18-5-3-14-12(17)9-6-10(19-8-9)2-1-4-15/h6,8,15H,3-5,7H2,(H2,13,16)(H,14,17).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 106240619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).