N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide

C17H13NOS — CID 881818

IUPACN-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1cccs1
InChIInChI=1S/C17H13NOS/c19-17(15-5-2-10-20-15)18-14-9-8-12-7-6-11-3-1-4-13(14)16(11)12/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyRJLKMVBGSMQCFG-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.25
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide

N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide (PubChem CID 881818) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide
PubChem CID881818
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1cccs1
InChIInChI=1S/C17H13NOS/c19-17(15-5-2-10-20-15)18-14-9-8-12-7-6-11-3-1-4-13(14)16(11)12/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyRJLKMVBGSMQCFG-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844975
N-(1,2-dihydroacenaphthylen-5-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678310
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
N-[(Z)-3-(1,2-dihydroacenaphthylen-5-ylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methoxybenzamide
CID 100565807
N-[(Z)-3-(1,2-dihydroacenaphthylen-5-ylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3-methylbenzamide
CID 100565780
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614835
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952532
N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51111293
(E)-3-(1,2-dihydroacenaphthylen-5-yl)-2-thiophen-2-ylprop-2-enenitrile
CID 102248529
N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4534840

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide (CID 881818) is N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c3c(cccc13)CC2)c1cccs1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide?
The InChIKey is RJLKMVBGSMQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-17(15-5-2-10-20-15)18-14-9-8-12-7-6-11-3-1-4-13(14)16(11)12/h1-5,8-10H,6-7H2,(H,18,19).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide?
N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 881818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).