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

C16H15NOS — CID 17454302

IUPACN-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)C1Cc2ccccc2S1
InChIInChI=1S/C16H15NOS/c18-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)19-15/h1-9,15H,10-11H2,(H,17,18)
InChIKeyYDUKJPXIRNAXSM-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.02
Rot. Bonds3

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

N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 17454302) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID17454302
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC NameN-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)C1Cc2ccccc2S1
InChIInChI=1S/C16H15NOS/c18-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)19-15/h1-9,15H,10-11H2,(H,17,18)
InChIKeyYDUKJPXIRNAXSM-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313177
4-[4-[(2,3-dihydro-1-benzothiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247068
N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60735809
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 99953268
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 86868026
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55499136
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18134735
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-benzylsulfinylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 146121654
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 113221726

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 17454302) is N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCc1ccccc1)C1Cc2ccccc2S1.
What is the InChIKey of N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is YDUKJPXIRNAXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-16(17-11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14(13)19-15/h1-9,15H,10-11H2,(H,17,18).
What are the key properties of N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17454302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).