N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide

C25H28N2O3S2 — CID 3927760

IUPACN-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O3S2/c1-2-15-26(32(29,30)19-20-9-5-3-6-10-20)18-24(28)27-16-13-23-22(14-17-31-23)25(27)21-11-7-4-8-12-21/h3-12,14,17,25H,2,13,15-16,18-19H2,1H3
InChIKeyGVNXOMDWGHQYRE-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.46
Rot. Bonds8

About N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide

N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide (PubChem CID 3927760) has the molecular formula C25H28N2O3S2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide
PubChem CID3927760
Molecular FormulaC25H28N2O3S2
Molecular Weight468.64 g/mol
Exact Mass468.15
IUPAC NameN-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O3S2/c1-2-15-26(32(29,30)19-20-9-5-3-6-10-20)18-24(28)27-16-13-23-22(14-17-31-23)25(27)21-11-7-4-8-12-21/h3-12,14,17,25H,2,13,15-16,18-19H2,1H3
InChIKeyGVNXOMDWGHQYRE-UHFFFAOYSA-N
XLogP4.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]methanesulfonamide
CID 7396559
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-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylbenzamide
CID 7348085
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
2-[benzyl(methyl)amino]-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47052994
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butanamide
CID 3918492
2-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylbenzamide
CID 4695601
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-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylnaphthalene-1-sulfonamide
CID 3929561
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-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylethenesulfonamide
CID 4553905

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide?
The IUPAC name of N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide (CID 3927760) is N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide?
The canonical SMILES for N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide is CCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide?
The InChIKey is GVNXOMDWGHQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S2/c1-2-15-26(32(29,30)19-20-9-5-3-6-10-20)18-24(28)27-16-13-23-22(14-17-31-23)25(27)21-11-7-4-8-12-21/h3-12,14,17,25H,2,13,15-16,18-19H2,1H3.
What are the key properties of N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide?
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide has a molecular weight of 468.64 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-phenyl-N-propylmethanesulfonamide is sourced from PubChem (CID 3927760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).