N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide

C12H17NO2S — CID 102866076

IUPACN-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(CCCO)C1CCC1
InChIInChI=1S/C12H17NO2S/c14-7-2-6-13(11-3-1-4-11)12(15)10-5-8-16-9-10/h5,8-9,11,14H,1-4,6-7H2
InChIKeyRFPUALIQPSOPGN-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.13
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 102866076) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
PubChem CID102866076
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(CCCO)C1CCC1
InChIInChI=1S/C12H17NO2S/c14-7-2-6-13(11-3-1-4-11)12(15)10-5-8-16-9-10/h5,8-9,11,14H,1-4,6-7H2
InChIKeyRFPUALIQPSOPGN-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102862752
N-piperidin-3-yl-N-propylthiophene-3-carboxamide
CID 55246454
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
N-cyclobutyl-3-ethyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 102867056
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 102861506
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102862491
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide (CID 102866076) is N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide is O=C(c1ccsc1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is RFPUALIQPSOPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-7-2-6-13(11-3-1-4-11)12(15)10-5-8-16-9-10/h5,8-9,11,14H,1-4,6-7H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 102866076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).