N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

C27H28N2O4S — CID 46011295

IUPACN-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2COc2ccccc2)C2CC2)cc1
InChIInChI=1S/C27H28N2O4S/c1-32-21-11-7-19(8-12-21)27(31)29(20-9-10-20)17-26(30)28-15-13-25-23(14-16-34-25)24(28)18-33-22-5-3-2-4-6-22/h2-8,11-12,14,16,20,24H,9-10,13,15,17-18H2,1H3
InChIKeyDVABUFVSUYPWPL-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.57
Rot. Bonds8

About N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (PubChem CID 46011295) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
PubChem CID46011295
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC NameN-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2COc2ccccc2)C2CC2)cc1
InChIInChI=1S/C27H28N2O4S/c1-32-21-11-7-19(8-12-21)27(31)29(20-9-10-20)17-26(30)28-15-13-25-23(14-16-34-25)24(28)18-33-22-5-3-2-4-6-22/h2-8,11-12,14,16,20,24H,9-10,13,15,17-18H2,1H3
InChIKeyDVABUFVSUYPWPL-UHFFFAOYSA-N
XLogP4.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 46011312
1-cyclopropyl-3-ethyl-1-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]urea
CID 46012648
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-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 93168819
N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 93168826
N-cyclopropyl-N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93167704
N-cyclopropyl-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93167709
N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
CID 46011303
N-cyclopropyl-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 4033117
N-cyclopropyl-2-methoxy-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 93167249
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
4-methoxy-N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 93167574

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (CID 46011295) is N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2COc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
The InChIKey is DVABUFVSUYPWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-32-21-11-7-19(8-12-21)27(31)29(20-9-10-20)17-26(30)28-15-13-25-23(14-16-34-25)24(28)18-33-22-5-3-2-4-6-22/h2-8,11-12,14,16,20,24H,9-10,13,15,17-18H2,1H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?
N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide has a molecular weight of 476.60 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is sourced from PubChem (CID 46011295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).