N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide

C19H22Cl2N2O4S2 — CID 3616641

IUPACN-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S2/c1-27-9-8-22(29(2,25)26)12-18(24)23-7-5-17-15(6-10-28-17)19(23)14-4-3-13(20)11-16(14)21/h3-4,6,10-11,19H,5,7-9,12H2,1-2H3
InChIKeyDQNIMSBBUGWGPQ-UHFFFAOYSA-N
MW477.44 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide

N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 3616641) has the molecular formula C19H22Cl2N2O4S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
PubChem CID3616641
Molecular FormulaC19H22Cl2N2O4S2
Molecular Weight477.44 g/mol
Exact Mass476.04
IUPAC NameN-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O4S2/c1-27-9-8-22(29(2,25)26)12-18(24)23-7-5-17-15(6-10-28-17)19(23)14-4-3-13(20)11-16(14)21/h3-4,6,10-11,19H,5,7-9,12H2,1-2H3
InChIKeyDQNIMSBBUGWGPQ-UHFFFAOYSA-N
XLogP3.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 3527526
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)cyclopropanecarboxamide
CID 3575696
1-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 3880964
N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 3933396
N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methylpropanamide
CID 3270817
ethyl 4-[butyl-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]amino]-4-oxobutanoate
CID 3612318
2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 3665669
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42779520
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)-2-methylpropanamide
CID 3978669
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-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 4255191
4-chloro-N-cyclopropyl-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 92950806

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide (CID 3616641) is N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide is COCCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is DQNIMSBBUGWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S2/c1-27-9-8-22(29(2,25)26)12-18(24)23-7-5-17-15(6-10-28-17)19(23)14-4-3-13(20)11-16(14)21/h3-4,6,10-11,19H,5,7-9,12H2,1-2H3.
What are the key properties of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide?
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 477.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 3616641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).