N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide

C15H17NO2S — CID 103280071

IUPACN-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cc2ccccc2s1
InChIInChI=1S/C15H17NO2S/c17-12-6-5-10(7-12)9-16-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12,17H,5-7,9H2,(H,16,18)
InChIKeyUPNWEZQYXHCESV-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.79
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 103280071) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID103280071
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cc2ccccc2s1
InChIInChI=1S/C15H17NO2S/c17-12-6-5-10(7-12)9-16-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12,17H,5-7,9H2,(H,16,18)
InChIKeyUPNWEZQYXHCESV-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106126739
N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106128324
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 91624557
N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 103279780
N-[(3-hydroxycyclopentyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 106137759
N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23965170
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
3-amino-4-chloro-N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106137816

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide (CID 103280071) is N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCC1CCC(O)C1)c1cc2ccccc2s1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is UPNWEZQYXHCESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-12-6-5-10(7-12)9-16-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12,17H,5-7,9H2,(H,16,18).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103280071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).