1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone

C19H24N2O2S — CID 99639394

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone
SMILESC[C@H](CCc1ccc(O)cc1)NCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H24N2O2S/c1-14(2-3-15-4-6-17(22)7-5-15)20-12-19(23)21-10-8-18-16(13-21)9-11-24-18/h4-7,9,11,14,20,22H,2-3,8,10,12-13H2,1H3/t14-/m1/s1
InChIKeyPLMPURYYIXPODW-CQSZACIVSA-N
MW344.48 g/mol
LogP2.95
Rot. Bonds6

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone (PubChem CID 99639394) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone
PubChem CID99639394
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone
SMILESC[C@H](CCc1ccc(O)cc1)NCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H24N2O2S/c1-14(2-3-15-4-6-17(22)7-5-15)20-12-19(23)21-10-8-18-16(13-21)9-11-24-18/h4-7,9,11,14,20,22H,2-3,8,10,12-13H2,1H3/t14-/m1/s1
InChIKeyPLMPURYYIXPODW-CQSZACIVSA-N
XLogP2.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
CID 115676847
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171709
ethyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoate
CID 61498759
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
methyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 43473111
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 63248082
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115889297
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203892
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethanone
CID 51965745

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone (CID 99639394) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone is C[C@H](CCc1ccc(O)cc1)NCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone?
The InChIKey is PLMPURYYIXPODW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(2-3-15-4-6-17(22)7-5-15)20-12-19(23)21-10-8-18-16(13-21)9-11-24-18/h4-7,9,11,14,20,22H,2-3,8,10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone has a molecular weight of 344.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino]ethanone is sourced from PubChem (CID 99639394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).