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

C27H26ClFN2O3S — CID 93166449

IUPACN-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C27H26ClFN2O3S/c28-20-5-9-22(10-6-20)34-17-24-23-12-14-35-25(23)11-13-31(24)26(32)16-30(15-18-1-2-18)27(33)19-3-7-21(29)8-4-19/h3-10,12,14,18,24H,1-2,11,13,15-17H2/t24-/m0/s1
InChIKeyABFIJAUYXLRXHY-DEOSSOPVSA-N
MW513.03 g/mol
LogP5.60
Rot. Bonds8

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

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide (PubChem CID 93166449) has the molecular formula C27H26ClFN2O3S and a molecular weight of 513.03 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide
PubChem CID93166449
Molecular FormulaC27H26ClFN2O3S
Molecular Weight513.03 g/mol
Exact Mass512.13
IUPAC NameN-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C27H26ClFN2O3S/c28-20-5-9-22(10-6-20)34-17-24-23-12-14-35-25(23)11-13-31(24)26(32)16-30(15-18-1-2-18)27(33)19-3-7-21(29)8-4-19/h3-10,12,14,18,24H,1-2,11,13,15-17H2/t24-/m0/s1
InChIKeyABFIJAUYXLRXHY-DEOSSOPVSA-N
XLogP5.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.03
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)benzamide
CID 93166461
3-chloro-N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 93170946
3-chloro-N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)benzamide
CID 98423120
N-(cyclopropylmethyl)-N-[2-[(4S)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylbenzamide
CID 93170941
N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-2-methylpropanamide
CID 46010053
N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide
CID 93170920
N-(cyclopropylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 93167422
N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46010225
N-(cyclopropylmethyl)-2-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
CID 93168968
3-(3-chlorophenyl)-1-(cyclopropylmethyl)-1-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 98272481
3-(3-chlorophenyl)-1-(cyclopropylmethyl)-1-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 46012903
N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(2-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methylbenzamide
CID 93169930

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide?
The IUPAC name of N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide (CID 93166449) is N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide?
The canonical SMILES for N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide is O=C(c1ccc(F)cc1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC1CC1.
What is the InChIKey of N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide?
The InChIKey is ABFIJAUYXLRXHY-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26ClFN2O3S/c28-20-5-9-22(10-6-20)34-17-24-23-12-14-35-25(23)11-13-31(24)26(32)16-30(15-18-1-2-18)27(33)19-3-7-21(29)8-4-19/h3-10,12,14,18,24H,1-2,11,13,15-17H2/t24-/m0/s1.
What are the key properties of N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide?
N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide has a molecular weight of 513.03 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide is sourced from PubChem (CID 93166449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).