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

C15H16ClNOS — CID 106126739

IUPACN-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc2ccccc2s1
InChIInChI=1S/C15H16ClNOS/c16-12-6-5-10(7-12)9-17-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12H,5-7,9H2,(H,17,18)
InChIKeyDPYVJEGUKOWIJB-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.04
Rot. Bonds3

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

N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 106126739) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID106126739
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc2ccccc2s1
InChIInChI=1S/C15H16ClNOS/c16-12-6-5-10(7-12)9-17-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12H,5-7,9H2,(H,17,18)
InChIKeyDPYVJEGUKOWIJB-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 103280071
N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106128324
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 91624557
5-chloro-N-[(3-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 106126347
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726
N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23965170
N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 33377513

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide (CID 106126739) is N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCC1CCC(Cl)C1)c1cc2ccccc2s1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is DPYVJEGUKOWIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c16-12-6-5-10(7-12)9-17-15(18)14-8-11-3-1-2-4-13(11)19-14/h1-4,8,10,12H,5-7,9H2,(H,17,18).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 293.82 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106126739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).