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

C25H31FN2O3S — CID 93170920

IUPACN-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C25H31FN2O3S/c1-17(2)13-24(29)27(14-18-3-4-18)15-25(30)28-11-9-23-21(10-12-32-23)22(28)16-31-20-7-5-19(26)6-8-20/h5-8,10,12,17-18,22H,3-4,9,11,13-16H2,1-2H3/t22-/m0/s1
InChIKeyHDPAXZREFCAJQP-QFIPXVFZSA-N
MW458.60 g/mol
LogP4.68
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide (PubChem CID 93170920) has the molecular formula C25H31FN2O3S and a molecular weight of 458.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide
PubChem CID93170920
Molecular FormulaC25H31FN2O3S
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC NameN-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C25H31FN2O3S/c1-17(2)13-24(29)27(14-18-3-4-18)15-25(30)28-11-9-23-21(10-12-32-23)22(28)16-31-20-7-5-19(26)6-8-20/h5-8,10,12,17-18,22H,3-4,9,11,13-16H2,1-2H3/t22-/m0/s1
InChIKeyHDPAXZREFCAJQP-QFIPXVFZSA-N
XLogP4.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 46012096
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-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(cyclopropylmethyl)-4-fluorobenzamide
CID 93166449
2-[cyclopropylmethyl-(3-hydroxy-3-methylbutan-2-yl)amino]-1-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 42843456
N-(cyclopropylmethyl)-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 93167409
N-(cyclopropylmethyl)-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 46010657
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
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
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylbutyl)acetamide
CID 46012199
N-(cyclopropylmethyl)-2-fluoro-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 93167426
N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methyl-N-[(2R)-2-methylbutyl]butanamide
CID 93166413
2-[cyclopropylmethyl-(2-hydroxy-3-methoxypropyl)amino]-1-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 46027189

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of 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) is N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide is CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is HDPAXZREFCAJQP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31FN2O3S/c1-17(2)13-24(29)27(14-18-3-4-18)15-25(30)28-11-9-23-21(10-12-32-23)22(28)16-31-20-7-5-19(26)6-8-20/h5-8,10,12,17-18,22H,3-4,9,11,13-16H2,1-2H3/t22-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide?
N-(cyclopropylmethyl)-N-[2-[(4R)-4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 458.60 g/mol, XLogP of 4.68, 9 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-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 93170920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).