N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide

C24H32N2O4S — CID 46011544

IUPACN-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCOCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C24H32N2O4S/c1-17-6-8-18(9-7-17)30-15-20-19-11-13-31-21(19)10-12-25(20)22(27)14-26(24(2,3)4)23(28)16-29-5/h6-9,11,13,20H,10,12,14-16H2,1-5H3
InChIKeyZBBUPMJYAZATKA-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.83
Rot. Bonds7

About N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide

N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 46011544) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
PubChem CID46011544
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCOCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C24H32N2O4S/c1-17-6-8-18(9-7-17)30-15-20-19-11-13-31-21(19)10-12-25(20)22(27)14-26(24(2,3)4)23(28)16-29-5/h6-9,11,13,20H,10,12,14-16H2,1-5H3
InChIKeyZBBUPMJYAZATKA-UHFFFAOYSA-N
XLogP3.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 46010607
N-tert-butyl-N-[2-[(4S)-4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxyacetamide
CID 93168494
2-methoxy-N-[(2R)-2-methylbutyl]-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 93169436
N-tert-butyl-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 46011535
1-tert-butyl-1-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-(4-methylphenyl)urea
CID 93166879
N-tert-butyl-N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 93166696
N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 93169148
2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylacetamide
CID 46010506
N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
CID 46011454
3-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylbutanamide
CID 93169147
N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 93168977
N-butan-2-yl-N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxyacetamide
CID 46012125

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 46011544) is N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is COCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The InChIKey is ZBBUPMJYAZATKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-17-6-8-18(9-7-17)30-15-20-19-11-13-31-21(19)10-12-25(20)22(27)14-26(24(2,3)4)23(28)16-29-5/h6-9,11,13,20H,10,12,14-16H2,1-5H3.
What are the key properties of N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 444.60 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxy-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 46011544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).