N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

C27H30FN3O4S — CID 42837793

IUPACN-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCN1CCCC1)CC(=O)N1CCc2sccc2C1COc1ccc(F)cc1
InChIInChI=1S/C27H30FN3O4S/c28-20-5-7-21(8-6-20)35-19-23-22-10-17-36-25(22)9-13-31(23)26(32)18-30(15-14-29-11-1-2-12-29)27(33)24-4-3-16-34-24/h3-8,10,16-17,23H,1-2,9,11-15,18-19H2
InChIKeyYGYWFPYMGKFSFE-UHFFFAOYSA-N
MW511.62 g/mol
LogP4.22
Rot. Bonds9

About N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (PubChem CID 42837793) has the molecular formula C27H30FN3O4S and a molecular weight of 511.62 g/mol. Its IUPAC name is N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
PubChem CID42837793
Molecular FormulaC27H30FN3O4S
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCN1CCCC1)CC(=O)N1CCc2sccc2C1COc1ccc(F)cc1
InChIInChI=1S/C27H30FN3O4S/c28-20-5-7-21(8-6-20)35-19-23-22-10-17-36-25(22)9-13-31(23)26(32)18-30(15-14-29-11-1-2-12-29)27(33)24-4-3-16-34-24/h3-8,10,16-17,23H,1-2,9,11-15,18-19H2
InChIKeyYGYWFPYMGKFSFE-UHFFFAOYSA-N
XLogP4.22
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide
CID 46011324
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]-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-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide
CID 46010456
N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide
CID 93167252
N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 93170738
N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 93167713
N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 98151289
2-methyl-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 93167003
N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
CID 93167904
N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 93170748
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 46012088

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (CID 42837793) is N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide is O=C(c1ccco1)N(CCN1CCCC1)CC(=O)N1CCc2sccc2C1COc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is YGYWFPYMGKFSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O4S/c28-20-5-7-21(8-6-20)35-19-23-22-10-17-36-25(22)9-13-31(23)26(32)18-30(15-14-29-11-1-2-12-29)27(33)24-4-3-16-34-24/h3-8,10,16-17,23H,1-2,9,11-15,18-19H2.
What are the key properties of N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 511.62 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 42837793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).