N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

C16H19NO2S — CID 63684649

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESO=C(NCC1CC2CCC1C2)c1ccc(C#CCO)s1
InChIInChI=1S/C16H19NO2S/c18-7-1-2-14-5-6-15(20-14)16(19)17-10-13-9-11-3-4-12(13)8-11/h5-6,11-13,18H,3-4,7-10H2,(H,17,19)
InChIKeyBGNCGKSMIMJMRX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.26
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (PubChem CID 63684649) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
PubChem CID63684649
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
SMILESO=C(NCC1CC2CCC1C2)c1ccc(C#CCO)s1
InChIInChI=1S/C16H19NO2S/c18-7-1-2-14-5-6-15(20-14)16(19)17-10-13-9-11-3-4-12(13)8-11/h5-6,11-13,18H,3-4,7-10H2,(H,17,19)
InChIKeyBGNCGKSMIMJMRX-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 63244465
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
3-[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63683370
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
N-(cyclohexylmethyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 61075104
5-(4-hydroxybut-1-ynyl)-N-(thiolan-2-ylmethyl)thiophene-2-carboxamide
CID 80586290
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122
N-(4-ethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61468370
N-(1-cyclohexylethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 62406371
N-(2,6-dimethylpiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83022785
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide (CID 63684649) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is O=C(NCC1CC2CCC1C2)c1ccc(C#CCO)s1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
The InChIKey is BGNCGKSMIMJMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-7-1-2-14-5-6-15(20-14)16(19)17-10-13-9-11-3-4-12(13)8-11/h5-6,11-13,18H,3-4,7-10H2,(H,17,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 63684649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).