1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone

C23H32N2OS — CID 3644317

IUPAC1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone
SMILESCC(C)CNCC(=O)N1CCc2sccc2C1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2OS/c1-16(2)14-24-15-21(26)25-12-10-20-19(11-13-27-20)22(25)17-6-8-18(9-7-17)23(3,4)5/h6-9,11,13,16,22,24H,10,12,14-15H2,1-5H3
InChIKeyBGADZISTZUPEEG-UHFFFAOYSA-N
MW384.59 g/mol
LogP4.77
Rot. Bonds5

About 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone

1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone (PubChem CID 3644317) has the molecular formula C23H32N2OS and a molecular weight of 384.59 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone
PubChem CID3644317
Molecular FormulaC23H32N2OS
Molecular Weight384.59 g/mol
Exact Mass384.22
IUPAC Name1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone
SMILESCC(C)CNCC(=O)N1CCc2sccc2C1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H32N2OS/c1-16(2)14-24-15-21(26)25-12-10-20-19(11-13-27-20)22(25)17-6-8-18(9-7-17)23(3,4)5/h6-9,11,13,16,22,24H,10,12,14-15H2,1-5H3
InChIKeyBGADZISTZUPEEG-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 3430392
2-(2-methylpropylamino)-1-[(4R)-4-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 162421350
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4562824
2-(tert-butylamino)-1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 811400
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylacetamide
CID 4592120
N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-chloro-N-propan-2-ylpropanamide
CID 42776225
2-(tert-butylamino)-1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 4222304
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 7249091
N-[4-[[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-propan-2-ylsulfamoyl]phenyl]acetamide
CID 3412563
N-butan-2-yl-4-tert-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
CID 4553900
N,4-ditert-butyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3482698

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone?
The IUPAC name of 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone (CID 3644317) is 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone is CC(C)CNCC(=O)N1CCc2sccc2C1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone?
The InChIKey is BGADZISTZUPEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2OS/c1-16(2)14-24-15-21(26)25-12-10-20-19(11-13-27-20)22(25)17-6-8-18(9-7-17)23(3,4)5/h6-9,11,13,16,22,24H,10,12,14-15H2,1-5H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone?
1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone has a molecular weight of 384.59 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(2-methylpropylamino)ethanone is sourced from PubChem (CID 3644317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).