N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

C22H28N2O3S — CID 7288938

IUPACN-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
SMILESCCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)COC
InChIInChI=1S/C22H28N2O3S/c1-3-4-12-23(21(26)16-27-2)15-20(25)24-13-10-19-18(11-14-28-19)22(24)17-8-6-5-7-9-17/h5-9,11,14,22H,3-4,10,12-13,15-16H2,1-2H3/t22-/m0/s1
InChIKeyBOKGVJCTQTYRBD-QFIPXVFZSA-N
MW400.54 g/mol
LogP3.50
Rot. Bonds8

About N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide

N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 7288938) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
PubChem CID7288938
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
SMILESCCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)COC
InChIInChI=1S/C22H28N2O3S/c1-3-4-12-23(21(26)16-27-2)15-20(25)24-13-10-19-18(11-14-28-19)22(24)17-8-6-5-7-9-17/h5-9,11,14,22H,3-4,10,12-13,15-16H2,1-2H3/t22-/m0/s1
InChIKeyBOKGVJCTQTYRBD-QFIPXVFZSA-N
XLogP3.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3963088
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]hexanamide
CID 7237908
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide
CID 3665663
N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide
CID 4561624
N-butyl-3-methyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
CID 7218414
N-butyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7350054
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butanamide
CID 3463174
N-(3-ethoxypropyl)-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
CID 7412345
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide
CID 3909966
2-chloro-N-(2-methoxyethyl)-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 7396506
N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopropanecarboxamide
CID 4040652
1-(3-methoxypropyl)-3,3-dimethyl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
CID 5215768

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (CID 7288938) is N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is CCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)COC.
What is the InChIKey of N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is BOKGVJCTQTYRBD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-4-12-23(21(26)16-27-2)15-20(25)24-13-10-19-18(11-14-28-19)22(24)17-8-6-5-7-9-17/h5-9,11,14,22H,3-4,10,12-13,15-16H2,1-2H3/t22-/m0/s1.
What are the key properties of N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?
N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 7288938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).