N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H24N2O2S — CID 91790122

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1csc2c1CCCC2
InChIInChI=1S/C20H24N2O2S/c23-15-10-14(11-15)18(9-13-5-7-21-8-6-13)22-20(24)17-12-25-19-4-2-1-3-16(17)19/h5-8,12,14-15,18,23H,1-4,9-11H2,(H,22,24)
InChIKeyHTTSCIQKYCHEEI-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.13
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 91790122) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID91790122
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1csc2c1CCCC2
InChIInChI=1S/C20H24N2O2S/c23-15-10-14(11-15)18(9-13-5-7-21-8-6-13)22-20(24)17-12-25-19-4-2-1-3-16(17)19/h5-8,12,14-15,18,23H,1-4,9-11H2,(H,22,24)
InChIKeyHTTSCIQKYCHEEI-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

PF-00356231
CID 448942
6-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4029169
N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 12004854
6-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 12005050
N-[3-[(4-hydroxycyclohexyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
CID 60587823
N-[3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
CID 138994895
N-[(1R)-2-hydroxy-1-phenylethyl]-5-pyridin-3-ylthiophene-3-carboxamide
CID 171345348
6-(2-Hydroxy-1-phenylethyl)-3-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 171354970
N-[(S)-(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-4-carboxamide
CID 100003583
N-[(S)-(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 100005389
N-[(S)-(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(methylamino)pyridine-3-carboxamide
CID 100200808
N-[3-(2-pyridin-4-ylethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5302819

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 91790122) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NC(Cc1ccncc1)C1CC(O)C1)c1csc2c1CCCC2.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is HTTSCIQKYCHEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-15-10-14(11-15)18(9-13-5-7-21-8-6-13)22-20(24)17-12-25-19-4-2-1-3-16(17)19/h5-8,12,14-15,18,23H,1-4,9-11H2,(H,22,24).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 91790122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).