N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide

C25H34N2O4S — CID 93167986

IUPACN-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C(C)C
InChIInChI=1S/C25H34N2O4S/c1-6-18(4)27(25(29)17(2)3)15-24(28)26-13-11-23-19(12-14-32-23)20(26)16-31-22-10-8-7-9-21(22)30-5/h7-10,12,14,17-18,20H,6,11,13,15-16H2,1-5H3/t18-,20+/m1/s1
InChIKeyFJBSVWXVWSOEGX-QUCCMNQESA-N
MW458.62 g/mol
LogP4.54
Rot. Bonds9

About N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide

N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide (PubChem CID 93167986) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
PubChem CID93167986
Molecular FormulaC25H34N2O4S
Molecular Weight458.62 g/mol
Exact Mass458.22
IUPAC NameN-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C(C)C
InChIInChI=1S/C25H34N2O4S/c1-6-18(4)27(25(29)17(2)3)15-24(28)26-13-11-23-19(12-14-32-23)20(26)16-31-22-10-8-7-9-21(22)30-5/h7-10,12,14,17-18,20H,6,11,13,15-16H2,1-5H3/t18-,20+/m1/s1
InChIKeyFJBSVWXVWSOEGX-QUCCMNQESA-N
XLogP4.54
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide with MolForge

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Related Compounds

N-butan-2-yl-N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 46010948
1-[(2S)-butan-2-yl]-3-ethyl-1-[2-[(4S)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 93171619
N-butan-2-yl-2-methyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 46011281
N-[2-[(4S)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 93167873
N-[(2R)-butan-2-yl]-N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 93170640
N-[2-[(4S)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 93168316
N-(2-methoxyethyl)-N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 46010903
N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 46011071
2-methoxy-N-[2-[4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylacetamide
CID 46010933
N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 46012317
N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide
CID 93168227
N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 93171128

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide (CID 93167986) is N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide is CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C(C)C.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is FJBSVWXVWSOEGX-QUCCMNQESA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-6-18(4)27(25(29)17(2)3)15-24(28)26-13-11-23-19(12-14-32-23)20(26)16-31-22-10-8-7-9-21(22)30-5/h7-10,12,14,17-18,20H,6,11,13,15-16H2,1-5H3/t18-,20+/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide?
N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 458.62 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 93167986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).