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

C28H28N2O3S2 — CID 3927764

IUPACN-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C28H28N2O3S2/c1-2-17-29(35(32,33)26-14-8-12-21-9-6-7-13-23(21)26)20-27(31)30-18-15-25-24(16-19-34-25)28(30)22-10-4-3-5-11-22/h3-14,16,19,28H,2,15,17-18,20H2,1H3
InChIKeyHNBUEZHWRFZBNY-UHFFFAOYSA-N
MW504.68 g/mol
LogP5.48
Rot. Bonds7

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

N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide (PubChem CID 3927764) has the molecular formula C28H28N2O3S2 and a molecular weight of 504.68 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
PubChem CID3927764
Molecular FormulaC28H28N2O3S2
Molecular Weight504.68 g/mol
Exact Mass504.15
IUPAC NameN-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide
SMILESCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C28H28N2O3S2/c1-2-17-29(35(32,33)26-14-8-12-21-9-6-7-13-23(21)26)20-27(31)30-18-15-25-24(16-19-34-25)28(30)22-10-4-3-5-11-22/h3-14,16,19,28H,2,15,17-18,20H2,1H3
InChIKeyHNBUEZHWRFZBNY-UHFFFAOYSA-N
XLogP5.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)naphthalene-1-sulfonamide
CID 4216967
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-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-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylnaphthalene-1-sulfonamide
CID 98183042
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-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylquinoline-8-sulfonamide
CID 3884265
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butanamide
CID 3918492
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
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-sulfonamide
CID 5037183
N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylbenzamide
CID 7348085
N-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-sulfonamide
CID 92516408

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]-N-propylnaphthalene-1-sulfonamide?
The IUPAC name of N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide (CID 3927764) is N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide is CCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide?
The InChIKey is HNBUEZHWRFZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3S2/c1-2-17-29(35(32,33)26-14-8-12-21-9-6-7-13-23(21)26)20-27(31)30-18-15-25-24(16-19-34-25)28(30)22-10-4-3-5-11-22/h3-14,16,19,28H,2,15,17-18,20H2,1H3.
What are the key properties of N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide?
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylnaphthalene-1-sulfonamide has a molecular weight of 504.68 g/mol, XLogP of 5.48, 7 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]-N-propylnaphthalene-1-sulfonamide is sourced from PubChem (CID 3927764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).