N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C19H17NOS — CID 597033

IUPACN-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1scc2c1CCCC2
InChIInChI=1S/C19H17NOS/c21-19(18-16-10-4-2-7-14(16)12-22-18)20-17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-9,11-12H,2,4,7,10H2,(H,20,21)
InChIKeyLJVXCEGXDZGWKG-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.03
Rot. Bonds2

About N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 597033) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID597033
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC NameN-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1scc2c1CCCC2
InChIInChI=1S/C19H17NOS/c21-19(18-16-10-4-2-7-14(16)12-22-18)20-17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-9,11-12H,2,4,7,10H2,(H,20,21)
InChIKeyLJVXCEGXDZGWKG-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597007
2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 596163
N-(4-nitrophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 3982635
N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 90653137
2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide
CID 878832
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
4-[[3-(naphthalen-1-ylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
CID 1047347
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
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CID 1346643
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 597033) is N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is O=C(Nc1cccc2ccccc12)c1scc2c1CCCC2.
What is the InChIKey of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is LJVXCEGXDZGWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c21-19(18-16-10-4-2-7-14(16)12-22-18)20-17-11-5-8-13-6-1-3-9-15(13)17/h1,3,5-6,8-9,11-12H,2,4,7,10H2,(H,20,21).
What are the key properties of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 597033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).