[(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium

C20H27N2O2S+ — CID 7283720

IUPAC[(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
SMILESCC[C@@H](C)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2S/c1-4-14(2)21-13-19(23)22-11-9-18-17(10-12-25-18)20(22)15-5-7-16(24-3)8-6-15/h5-8,10,12,14,20-21H,4,9,11,13H2,1-3H3/p+1/t14-,20+/m1/s1
InChIKeyLVAJDYOGJGFQCJ-VLIAUNLRSA-O
MW359.52 g/mol
LogP2.59
Rot. Bonds6

About [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium

[(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium (PubChem CID 7283720) has the molecular formula C20H27N2O2S+ and a molecular weight of 359.52 g/mol. Its IUPAC name is [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
PubChem CID7283720
Molecular FormulaC20H27N2O2S+
Molecular Weight359.52 g/mol
Exact Mass359.18
IUPAC Name[(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
SMILESCC[C@@H](C)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2S/c1-4-14(2)21-13-19(23)22-11-9-18-17(10-12-25-18)20(22)15-5-7-16(24-3)8-6-15/h5-8,10,12,14,20-21H,4,9,11,13H2,1-3H3/p+1/t14-,20+/m1/s1
InChIKeyLVAJDYOGJGFQCJ-VLIAUNLRSA-O
XLogP2.59
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium with MolForge

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Related Compounds

1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]hexan-1-one
CID 7265535
N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 7226428
N-butan-2-yl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]butanamide
CID 3607972
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 6925905
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-phenylethanone
CID 3498352
(3S)-1-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3,5,5-trimethylhexan-1-one
CID 7327346
2-(tert-butylamino)-1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 4222304
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 3889285
N-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 7238697
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
N-butan-2-yl-2-fluoro-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3925230
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
The IUPAC name of [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium (CID 7283720) is [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium.
What is the SMILES notation for [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
The canonical SMILES for [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium is CC[C@@H](C)[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
The InChIKey is LVAJDYOGJGFQCJ-VLIAUNLRSA-O. The full InChI is InChI=1S/C20H26N2O2S/c1-4-14(2)21-13-19(23)22-11-9-18-17(10-12-25-18)20(22)15-5-7-16(24-3)8-6-15/h5-8,10,12,14,20-21H,4,9,11,13H2,1-3H3/p+1/t14-,20+/m1/s1.
What are the key properties of [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium?
[(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium has a molecular weight of 359.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]-[2-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium is sourced from PubChem (CID 7283720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).