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

C25H21Cl3N2O2S — CID 92950806

IUPAC4-chloro-N-cyclopropyl-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C25H21Cl3N2O2S/c26-16-3-1-15(2-4-16)25(32)30(18-6-7-18)14-23(31)29-11-9-22-20(10-12-33-22)24(29)19-8-5-17(27)13-21(19)28/h1-5,8,10,12-13,18,24H,6-7,9,11,14H2/t24-/m0/s1
InChIKeyYFQCRORPRMNJOM-DEOSSOPVSA-N
MW519.88 g/mol
LogP6.49
Rot. Bonds5

About 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

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 (PubChem CID 92950806) has the molecular formula C25H21Cl3N2O2S and a molecular weight of 519.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
PubChem CID92950806
Molecular FormulaC25H21Cl3N2O2S
Molecular Weight519.88 g/mol
Exact Mass518.04
IUPAC Name4-chloro-N-cyclopropyl-N-[2-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C25H21Cl3N2O2S/c26-16-3-1-15(2-4-16)25(32)30(18-6-7-18)14-23(31)29-11-9-22-20(10-12-33-22)24(29)19-8-5-17(27)13-21(19)28/h1-5,8,10,12-13,18,24H,6-7,9,11,14H2/t24-/m0/s1
InChIKeyYFQCRORPRMNJOM-DEOSSOPVSA-N
XLogP6.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.88
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-4-phenylbenzamide
CID 5213132
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
1-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 3880964
N-[2-[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 92515830
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
N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 5031833
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-4-methoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 4033117
cyclopropyl-[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7231439

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(c1ccc(Cl)cc1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 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?
The InChIKey is YFQCRORPRMNJOM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H21Cl3N2O2S/c26-16-3-1-15(2-4-16)25(32)30(18-6-7-18)14-23(31)29-11-9-22-20(10-12-33-22)24(29)19-8-5-17(27)13-21(19)28/h1-5,8,10,12-13,18,24H,6-7,9,11,14H2/t24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 519.88 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92950806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).