N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide

C13H16N2O2S — CID 71792704

IUPACN-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide
SMILESO=C(NCC#CCN1CCOCC1)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c16-13(12-3-10-18-11-12)14-4-1-2-5-15-6-8-17-9-7-15/h3,10-11H,4-9H2,(H,14,16)
InChIKeyYCKIBHKMZLJGSB-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.81
Rot. Bonds3

About N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide

N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide (PubChem CID 71792704) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide
PubChem CID71792704
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide
SMILESO=C(NCC#CCN1CCOCC1)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c16-13(12-3-10-18-11-12)14-4-1-2-5-15-6-8-17-9-7-15/h3,10-11H,4-9H2,(H,14,16)
InChIKeyYCKIBHKMZLJGSB-UHFFFAOYSA-N
XLogP0.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-Morpholin-4-ylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 24817426
1-(Thiophen-3-ylcarbonyl)piperazine
CID 12289911
2-amino-N-(2-morpholinoethyl)thiophene-3-carboxamide
CID 53383644
Ethyl 4-(thiophene-3-carbonyl)piperazine-1-carboxylate
CID 49670377
N-(4-(piperidin-1-yl)but-2-yn-1-yl)thiophene-3-carboxamide
CID 71792650
N-((3-methoxytetrahydrothiophen-3-yl)methyl)thiophene-3-carboxamide
CID 71804815
N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
CID 71977244
[1-(2-Methoxyethyl)-1,7-diazaspiro[3.5]nonan-7-yl]-thiophen-3-ylmethanone
CID 97399212
N-[(Oxan-4-YL)methyl]thiophene-3-carboxamide
CID 110875679
N1-(2-morpholinoethyl)-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868781
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)thiophene-3-carboxamide
CID 45558601
N-[1-(2-Methoxyethyl)piperidin-4-YL]thiophene-3-carboxamide
CID 47549497

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide (CID 71792704) is N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide is O=C(NCC#CCN1CCOCC1)c1ccsc1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide?
The InChIKey is YCKIBHKMZLJGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-13(12-3-10-18-11-12)14-4-1-2-5-15-6-8-17-9-7-15/h3,10-11H,4-9H2,(H,14,16).
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide?
N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 71792704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).