2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide

C29H22Cl3FN2O2S — CID 98171730

IUPAC2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1Cl)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C29H22Cl3FN2O2S/c30-19-7-10-21(25(32)15-19)28-23-12-14-38-26(23)11-13-35(28)27(36)17-34(16-18-5-8-20(33)9-6-18)29(37)22-3-1-2-4-24(22)31/h1-10,12,14-15,28H,11,13,16-17H2/t28-/m0/s1
InChIKeyAZIZFFNPTZDRKP-NDEPHWFRSA-N
MW587.93 g/mol
LogP7.66
Rot. Bonds6

About 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide

2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 98171730) has the molecular formula C29H22Cl3FN2O2S and a molecular weight of 587.93 g/mol. Its IUPAC name is 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID98171730
Molecular FormulaC29H22Cl3FN2O2S
Molecular Weight587.93 g/mol
Exact Mass586.05
IUPAC Name2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1Cl)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C29H22Cl3FN2O2S/c30-19-7-10-21(25(32)15-19)28-23-12-14-38-26(23)11-13-35(28)27(36)17-34(16-18-5-8-20(33)9-6-18)29(37)22-3-1-2-4-24(22)31/h1-10,12,14-15,28H,11,13,16-17H2/t28-/m0/s1
InChIKeyAZIZFFNPTZDRKP-NDEPHWFRSA-N
XLogP7.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.93
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide with MolForge

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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]-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 3457671
N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]octanamide
CID 98395757
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluoro-N-(2-methylpropyl)benzamide
CID 3666557
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluoro-N-prop-2-enylbenzamide
CID 4214128
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-ethyl-N-(3-methylbutyl)benzamide
CID 3370283
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
N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 4598511
4-chloro-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4214740
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
1-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 3880964
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 3961243
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-ethyl-2-phenylcyclopropane-1-carboxamide
CID 3252995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide (CID 98171730) is 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccccc1Cl)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is AZIZFFNPTZDRKP-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H22Cl3FN2O2S/c30-19-7-10-21(25(32)15-19)28-23-12-14-38-26(23)11-13-35(28)27(36)17-34(16-18-5-8-20(33)9-6-18)29(37)22-3-1-2-4-24(22)31/h1-10,12,14-15,28H,11,13,16-17H2/t28-/m0/s1.
What are the key properties of 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide?
2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 587.93 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 98171730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).