N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide

C26H19NOS — CID 90752219

IUPACN-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C26H19NOS/c28-26(27-17-18-9-2-1-3-10-18)25-24(22-14-6-7-16-23(22)29-25)21-15-8-12-19-11-4-5-13-20(19)21/h1-16H,17H2,(H,27,28)
InChIKeyLIUQLRZNKARWDJ-UHFFFAOYSA-N
MW393.51 g/mol
LogP6.65
Rot. Bonds4

About N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide

N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide (PubChem CID 90752219) has the molecular formula C26H19NOS and a molecular weight of 393.51 g/mol. Its IUPAC name is N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide
PubChem CID90752219
Molecular FormulaC26H19NOS
Molecular Weight393.51 g/mol
Exact Mass393.12
IUPAC NameN-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C26H19NOS/c28-26(27-17-18-9-2-1-3-10-18)25-24(22-14-6-7-16-23(22)29-25)21-15-8-12-19-11-4-5-13-20(19)21/h1-16H,17H2,(H,27,28)
InChIKeyLIUQLRZNKARWDJ-UHFFFAOYSA-N
XLogP6.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 57050332
N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 8533507
3-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 56599940
2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 117084082
N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
3-chloro-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919645
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide (CID 90752219) is N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide is O=C(NCc1ccccc1)c1sc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
The InChIKey is LIUQLRZNKARWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NOS/c28-26(27-17-18-9-2-1-3-10-18)25-24(22-14-6-7-16-23(22)29-25)21-15-8-12-19-11-4-5-13-20(19)21/h1-16H,17H2,(H,27,28).
What are the key properties of N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide?
N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-naphthalen-1-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 90752219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).