N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C23H32N2O2S — CID 92761253

IUPACN-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)c1cc2c(s1)-c1cc(OC)ccc1CC2
InChIInChI=1S/C23H32N2O2S/c1-5-25(6-2)13-7-8-16(3)24-23(26)21-14-18-10-9-17-11-12-19(27-4)15-20(17)22(18)28-21/h11-12,14-16H,5-10,13H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyPAOXJEWKPKNQPP-MRXNPFEDSA-N
MW400.59 g/mol
LogP4.76
Rot. Bonds9

About N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 92761253) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID92761253
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)c1cc2c(s1)-c1cc(OC)ccc1CC2
InChIInChI=1S/C23H32N2O2S/c1-5-25(6-2)13-7-8-16(3)24-23(26)21-14-18-10-9-17-11-12-19(27-4)15-20(17)22(18)28-21/h11-12,14-16H,5-10,13H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyPAOXJEWKPKNQPP-MRXNPFEDSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide with MolForge

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 46092656
8-methoxy-N-(3-phenylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 46082980
7-methoxy-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 95158128
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
N-(4-phenylbutan-2-yl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963448
N-(1-methoxypropan-2-yl)-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
CID 66869372
methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 2739690
N-(4-ethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 7947543
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
methyl (2S)-2-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)-3-methylbutanoate
CID 60618704
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 8576767
2-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)-4-methoxybutanoic acid
CID 120702374

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 92761253) is N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is CCN(CC)CCC[C@@H](C)NC(=O)c1cc2c(s1)-c1cc(OC)ccc1CC2.
What is the InChIKey of N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is PAOXJEWKPKNQPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-5-25(6-2)13-7-8-16(3)24-23(26)21-14-18-10-9-17-11-12-19(27-4)15-20(17)22(18)28-21/h11-12,14-16H,5-10,13H2,1-4H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(diethylamino)pentan-2-yl]-8-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 92761253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).