N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide

C24H30N2O3S — CID 93169223

IUPACN-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
SMILESCc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-16(2)24(28)26(18-6-7-18)14-23(27)25-12-10-22-20(11-13-30-22)21(25)15-29-19-8-4-17(3)5-9-19/h4-5,8-9,11,13,16,18,21H,6-7,10,12,14-15H2,1-3H3/t21-/m0/s1
InChIKeyFUCVQINBYDZBEF-NRFANRHFSA-N
MW426.58 g/mol
LogP4.21
Rot. Bonds7

About N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide

N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (PubChem CID 93169223) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
PubChem CID93169223
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
SMILESCc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)cc1
InChIInChI=1S/C24H30N2O3S/c1-16(2)24(28)26(18-6-7-18)14-23(27)25-12-10-22-20(11-13-30-22)21(25)15-29-19-8-4-17(3)5-9-19/h4-5,8-9,11,13,16,18,21H,6-7,10,12,14-15H2,1-3H3/t21-/m0/s1
InChIKeyFUCVQINBYDZBEF-NRFANRHFSA-N
XLogP4.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-cyclopropyl-1-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-(4-methylphenyl)urea
CID 93172007
N-cyclopropyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93169225
N-cyclopropyl-4-fluoro-N-[2-[4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 46011481
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
N-cyclopropyl-N-[2-[(4S)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 93169717
N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
CID 46010550
N-cyclopropyl-2-fluoro-N-[2-[(4S)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93169236
N-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 93169175
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
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 93166266
2-[cyclopropyl-[(2R)-2-hydroxy-3-methoxypropyl]amino]-1-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 98631198
2-[cyclopropyl-[(2S)-2-hydroxy-3-methoxypropyl]amino]-1-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 93220354

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (CID 93169223) is N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(C)C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
The InChIKey is FUCVQINBYDZBEF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-16(2)24(28)26(18-6-7-18)14-23(27)25-12-10-22-20(11-13-30-22)21(25)15-29-19-8-4-17(3)5-9-19/h4-5,8-9,11,13,16,18,21H,6-7,10,12,14-15H2,1-3H3/t21-/m0/s1.
What are the key properties of N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide has a molecular weight of 426.58 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 93169223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).