4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide

C26H28N2O3S2 — CID 4996703

IUPAC4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28N2O3S2/c1-4-15-27(33(30,31)22-11-7-20(3)8-12-22)18-25(29)28-16-13-24-23(14-17-32-24)26(28)21-9-5-19(2)6-10-21/h4-12,14,17,26H,1,13,15-16,18H2,2-3H3
InChIKeyUJAAHOQERHDCQY-UHFFFAOYSA-N
MW480.66 g/mol
LogP4.72
Rot. Bonds7

About 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide

4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 4996703) has the molecular formula C26H28N2O3S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID4996703
Molecular FormulaC26H28N2O3S2
Molecular Weight480.66 g/mol
Exact Mass480.15
IUPAC Name4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28N2O3S2/c1-4-15-27(33(30,31)22-11-7-20(3)8-12-22)18-25(29)28-16-13-24-23(14-17-32-24)26(28)21-9-5-19(2)6-10-21/h4-12,14,17,26H,1,13,15-16,18H2,2-3H3
InChIKeyUJAAHOQERHDCQY-UHFFFAOYSA-N
XLogP4.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4045852
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 4025948
N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide
CID 7259526
N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 98182880
4-chloro-N-(3-methoxypropyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
CID 3897296
N-[2-[(4S)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 93172604
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 3999437
N-tert-butyl-4-fluoro-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzenesulfonamide
CID 3661850
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-[2-[4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 46013104
N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
CID 3924106
N-[4-[cyclopropyl-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
CID 3888332

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide (CID 4996703) is 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is UJAAHOQERHDCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S2/c1-4-15-27(33(30,31)22-11-7-20(3)8-12-22)18-25(29)28-16-13-24-23(14-17-32-24)26(28)21-9-5-19(2)6-10-21/h4-12,14,17,26H,1,13,15-16,18H2,2-3H3.
What are the key properties of 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 480.66 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 4996703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).