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

C24H31FN2O3S — CID 93170640

IUPACN-[(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
SMILESCC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C24H31FN2O3S/c1-5-17(4)27(24(29)16(2)3)14-23(28)26-12-10-22-20(11-13-31-22)21(26)15-30-19-8-6-18(25)7-9-19/h6-9,11,13,16-17,21H,5,10,12,14-15H2,1-4H3/t17-,21-/m1/s1
InChIKeyNUOWJRUUGXANCY-DYESRHJHSA-N
MW446.59 g/mol
LogP4.68
Rot. Bonds8

About 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

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 (PubChem CID 93170640) has the molecular formula C24H31FN2O3S and a molecular weight of 446.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID93170640
Molecular FormulaC24H31FN2O3S
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC NameN-[(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
SMILESCC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C24H31FN2O3S/c1-5-17(4)27(24(29)16(2)3)14-23(28)26-12-10-22-20(11-13-31-22)21(26)15-30-19-8-6-18(25)7-9-19/h6-9,11,13,16-17,21H,5,10,12,14-15H2,1-4H3/t17-,21-/m1/s1
InChIKeyNUOWJRUUGXANCY-DYESRHJHSA-N
XLogP4.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 93170663
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
1-[(2R)-butan-2-yl]-1-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 93172377
1-[(2S)-butan-2-yl]-1-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 93172378
N-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 93170631
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]furan-2-carboxamide
CID 93170632
N-[(2S)-butan-2-yl]-2-fluoro-N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93170669
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide
CID 46012199
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
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 46012096
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]-3-methoxybenzamide
CID 93170688

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)C(C)C.
What is the InChIKey of 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?
The InChIKey is NUOWJRUUGXANCY-DYESRHJHSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-5-17(4)27(24(29)16(2)3)14-23(28)26-12-10-22-20(11-13-31-22)21(26)15-30-19-8-6-18(25)7-9-19/h6-9,11,13,16-17,21H,5,10,12,14-15H2,1-4H3/t17-,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 446.59 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 93170640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).