8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C23H23NO2S — CID 46082980

IUPAC8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCOc1ccc2c(c1)-c1sc(C(=O)NCCCc3ccccc3)cc1CC2
InChIInChI=1S/C23H23NO2S/c1-26-19-12-11-17-9-10-18-14-21(27-22(18)20(17)15-19)23(25)24-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15H,5,8-10,13H2,1H3,(H,24,25)
InChIKeyMUHYXFRTPJTZJU-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.88
Rot. Bonds6

About 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 46082980) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID46082980
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCOc1ccc2c(c1)-c1sc(C(=O)NCCCc3ccccc3)cc1CC2
InChIInChI=1S/C23H23NO2S/c1-26-19-12-11-17-9-10-18-14-21(27-22(18)20(17)15-19)23(25)24-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15H,5,8-10,13H2,1H3,(H,24,25)
InChIKeyMUHYXFRTPJTZJU-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 9465617
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 92761253
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24538278
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-7-methyl-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963479
methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 2739690
5-acetyl-N-(3-phenylpropyl)thiophene-2-carboxamide
CID 36843403
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 46082980) is 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is COc1ccc2c(c1)-c1sc(C(=O)NCCCc3ccccc3)cc1CC2.
What is the InChIKey of 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is MUHYXFRTPJTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-26-19-12-11-17-9-10-18-14-21(27-22(18)20(17)15-19)23(25)24-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15H,5,8-10,13H2,1H3,(H,24,25).
What are the key properties of 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 46082980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).