N-(4-chloropentyl)-1-benzothiophene-3-carboxamide

C14H16ClNOS — CID 114147435

IUPACN-(4-chloropentyl)-1-benzothiophene-3-carboxamide
SMILESCC(Cl)CCCNC(=O)c1csc2ccccc12
InChIInChI=1S/C14H16ClNOS/c1-10(15)5-4-8-16-14(17)12-9-18-13-7-3-2-6-11(12)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,16,17)
InChIKeyBGNFRHWGUGSFKG-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.04
Rot. Bonds5

About N-(4-chloropentyl)-1-benzothiophene-3-carboxamide

N-(4-chloropentyl)-1-benzothiophene-3-carboxamide (PubChem CID 114147435) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-(4-chloropentyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-1-benzothiophene-3-carboxamide
PubChem CID114147435
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-(4-chloropentyl)-1-benzothiophene-3-carboxamide
SMILESCC(Cl)CCCNC(=O)c1csc2ccccc12
InChIInChI=1S/C14H16ClNOS/c1-10(15)5-4-8-16-14(17)12-9-18-13-7-3-2-6-11(12)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,16,17)
InChIKeyBGNFRHWGUGSFKG-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
CID 114008448
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-[3-(2-methyltriazol-4-yl)propyl]-1-benzothiophene-3-carboxamide
CID 122136233
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4-chloropentyl)-1-benzothiophene-3-carboxamide (CID 114147435) is N-(4-chloropentyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4-chloropentyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4-chloropentyl)-1-benzothiophene-3-carboxamide is CC(Cl)CCCNC(=O)c1csc2ccccc12.
What is the InChIKey of N-(4-chloropentyl)-1-benzothiophene-3-carboxamide?
The InChIKey is BGNFRHWGUGSFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(15)5-4-8-16-14(17)12-9-18-13-7-3-2-6-11(12)13/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,16,17).
What are the key properties of N-(4-chloropentyl)-1-benzothiophene-3-carboxamide?
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide has a molecular weight of 281.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 114147435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).