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

C24H30N2O3S — CID 93169454

IUPACN-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC1CC1
InChIInChI=1S/C24H30N2O3S/c1-3-23(27)25(14-18-6-7-18)15-24(28)26-12-10-22-20(11-13-30-22)21(26)16-29-19-8-4-17(2)5-9-19/h4-5,8-9,11,13,18,21H,3,6-7,10,12,14-16H2,1-2H3/t21-/m0/s1
InChIKeyZDEODAKTWLXALN-NRFANRHFSA-N
MW426.58 g/mol
LogP4.21
Rot. Bonds8

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

N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (PubChem CID 93169454) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
PubChem CID93169454
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC1CC1
InChIInChI=1S/C24H30N2O3S/c1-3-23(27)25(14-18-6-7-18)15-24(28)26-12-10-22-20(11-13-30-22)21(26)16-29-19-8-4-17(2)5-9-19/h4-5,8-9,11,13,18,21H,3,6-7,10,12,14-16H2,1-2H3/t21-/m0/s1
InChIKeyZDEODAKTWLXALN-NRFANRHFSA-N
XLogP4.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (CID 93169454) is N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
The InChIKey is ZDEODAKTWLXALN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-3-23(27)25(14-18-6-7-18)15-24(28)26-12-10-22-20(11-13-30-22)21(26)16-29-19-8-4-17(2)5-9-19/h4-5,8-9,11,13,18,21H,3,6-7,10,12,14-16H2,1-2H3/t21-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
N-(cyclopropylmethyl)-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, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-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 93169454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).