tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate

C20H24N2O3S — CID 45352504

IUPACtert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-13-16-10-12-26-17(16)9-11-22(13)18(23)14-5-7-15(8-6-14)21-19(24)25-20(2,3)4/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,24)
InChIKeyVLZUPMKCZMVYPZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.85
Rot. Bonds2

About tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate

tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate (PubChem CID 45352504) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate
PubChem CID45352504
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Nametert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-13-16-10-12-26-17(16)9-11-22(13)18(23)14-5-7-15(8-6-14)21-19(24)25-20(2,3)4/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,24)
InChIKeyVLZUPMKCZMVYPZ-UHFFFAOYSA-N
XLogP4.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate with MolForge

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Related Compounds

[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 55567185
N-(4-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121119
tert-butyl N-[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]carbamate
CID 27554136
2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93469546
N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 8949553
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 47120180
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
(4-ethoxy-3-methoxyphenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949543
N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 8949909

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate (CID 45352504) is tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate is CC1c2ccsc2CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate?
The InChIKey is VLZUPMKCZMVYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-16-10-12-26-17(16)9-11-22(13)18(23)14-5-7-15(8-6-14)21-19(24)25-20(2,3)4/h5-8,10,12-13H,9,11H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate?
tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate has a molecular weight of 372.49 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate is sourced from PubChem (CID 45352504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).