N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C12H15NOS — CID 42931099

IUPACN-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCCNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C12H15NOS/c1-2-7-13-12(14)11-8-9-5-3-4-6-10(9)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyXFCYHXVNWKPPIV-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.23
Rot. Bonds3

About N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42931099) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42931099
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC NameN-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCCNC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C12H15NOS/c1-2-7-13-12(14)11-8-9-5-3-4-6-10(9)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14)
InChIKeyXFCYHXVNWKPPIV-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309548
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-[3-[benzyl(methyl)amino]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896202
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114313238
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
N-(2-benzylsulfinylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 146121654
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114751808

Frequently Asked Questions

What is the IUPAC name of N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42931099) is N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide is CCCNC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is XFCYHXVNWKPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-7-13-12(14)11-8-9-5-3-4-6-10(9)15-11/h3-6,11H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 221.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42931099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).