N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide

C27H36N2O4S — CID 46010619

IUPACN-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
SMILESCCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)CC1CCCO1
InChIInChI=1S/C27H36N2O4S/c1-4-26(30)28(16-22-6-5-14-32-22)17-27(31)29-13-11-25-23(12-15-34-25)24(29)18-33-21-9-7-20(8-10-21)19(2)3/h7-10,12,15,19,22,24H,4-6,11,13-14,16-18H2,1-3H3
InChIKeyXLEGGOGOZPKIQB-UHFFFAOYSA-N
MW484.66 g/mol
LogP4.79
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide

N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (PubChem CID 46010619) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
PubChem CID46010619
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC NameN-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
SMILESCCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)CC1CCCO1
InChIInChI=1S/C27H36N2O4S/c1-4-26(30)28(16-22-6-5-14-32-22)17-27(31)29-13-11-25-23(12-15-34-25)24(29)18-33-21-9-7-20(8-10-21)19(2)3/h7-10,12,15,19,22,24H,4-6,11,13-14,16-18H2,1-3H3
InChIKeyXLEGGOGOZPKIQB-UHFFFAOYSA-N
XLogP4.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (CID 46010619) is N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide is CCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
The InChIKey is XLEGGOGOZPKIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-4-26(30)28(16-22-6-5-14-32-22)17-27(31)29-13-11-25-23(12-15-34-25)24(29)18-33-21-9-7-20(8-10-21)19(2)3/h7-10,12,15,19,22,24H,4-6,11,13-14,16-18H2,1-3H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?
N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide has a molecular weight of 484.66 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide is sourced from PubChem (CID 46010619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).