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

C20H26N2O3S2 — CID 7396559

IUPACN-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide
SMILESCCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-3-4-12-21(27(2,24)25)15-19(23)22-13-10-18-17(11-14-26-18)20(22)16-8-6-5-7-9-16/h5-9,11,14,20H,3-4,10,12-13,15H2,1-2H3/t20-/m1/s1
InChIKeyYESHPOCPJMMEAX-HXUWFJFHSA-N
MW406.57 g/mol
LogP3.28
Rot. Bonds7

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

N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide (PubChem CID 7396559) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide
PubChem CID7396559
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide
SMILESCCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-3-4-12-21(27(2,24)25)15-19(23)22-13-10-18-17(11-14-26-18)20(22)16-8-6-5-7-9-16/h5-9,11,14,20H,3-4,10,12-13,15H2,1-2H3/t20-/m1/s1
InChIKeyYESHPOCPJMMEAX-HXUWFJFHSA-N
XLogP3.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
CID 3987984
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide
CID 3927760
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
CID 3927764
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-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide
CID 4553905
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
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-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylbenzamide
CID 7348085
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-1-carboxamide
CID 93110364
N-butyl-3,5-dichloro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 4261618
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide
CID 3665663
2,2-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylpropanamide
CID 7404932

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide?
The IUPAC name of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide (CID 7396559) is N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide is CCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide?
The InChIKey is YESHPOCPJMMEAX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-3-4-12-21(27(2,24)25)15-19(23)22-13-10-18-17(11-14-26-18)20(22)16-8-6-5-7-9-16/h5-9,11,14,20H,3-4,10,12-13,15H2,1-2H3/t20-/m1/s1.
What are the key properties of N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide?
N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide has a molecular weight of 406.57 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 7396559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).