N-butyl-1-benzothiophene-2-carboxamide

C13H15NOS — CID 2054449

IUPACN-butyl-1-benzothiophene-2-carboxamide
SMILESCCCCNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NOS/c1-2-3-8-14-13(15)12-9-10-6-4-5-7-11(10)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyQDQGTLZCBBLLDA-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.43
Rot. Bonds4

About N-butyl-1-benzothiophene-2-carboxamide

N-butyl-1-benzothiophene-2-carboxamide (PubChem CID 2054449) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-butyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-benzothiophene-2-carboxamide
PubChem CID2054449
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-butyl-1-benzothiophene-2-carboxamide
SMILESCCCCNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NOS/c1-2-3-8-14-13(15)12-9-10-6-4-5-7-11(10)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyQDQGTLZCBBLLDA-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thienopyridone
CID 91383855
2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxamide
CID 1490444
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 166633564
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
CID 903260
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-butyl-1-benzothiophene-2-carboxamide (CID 2054449) is N-butyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-butyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-butyl-1-benzothiophene-2-carboxamide is CCCCNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-butyl-1-benzothiophene-2-carboxamide?
The InChIKey is QDQGTLZCBBLLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-3-8-14-13(15)12-9-10-6-4-5-7-11(10)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N-butyl-1-benzothiophene-2-carboxamide?
N-butyl-1-benzothiophene-2-carboxamide has a molecular weight of 233.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2054449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).