2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide

C34H32Cl2N4O4S — CID 142786237

IUPAC2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
SMILESCOc1cccc2c1-c1ccccc1N(S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C2CC(=O)NCCc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C34H32Cl2N4O4S/c1-44-31-8-4-6-26-30(20-32(41)37-16-15-22-9-12-24(13-10-22)34-38-17-18-39-34)40(29-7-3-2-5-25(29)33(26)31)45(42,43)21-23-11-14-27(35)28(36)19-23/h2-14,19,30H,15-18,20-21H2,1H3,(H,37,41)(H,38,39)
InChIKeyTVYSGMJVJDRPAS-UHFFFAOYSA-N
MW663.63 g/mol
LogP6.16
Rot. Bonds10

About 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide

2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide (PubChem CID 142786237) has the molecular formula C34H32Cl2N4O4S and a molecular weight of 663.63 g/mol. Its IUPAC name is 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
PubChem CID142786237
Molecular FormulaC34H32Cl2N4O4S
Molecular Weight663.63 g/mol
Exact Mass662.15
IUPAC Name2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
SMILESCOc1cccc2c1-c1ccccc1N(S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C2CC(=O)NCCc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C34H32Cl2N4O4S/c1-44-31-8-4-6-26-30(20-32(41)37-16-15-22-9-12-24(13-10-22)34-38-17-18-39-34)40(29-7-3-2-5-25(29)33(26)31)45(42,43)21-23-11-14-27(35)28(36)19-23/h2-14,19,30H,15-18,20-21H2,1H3,(H,37,41)(H,38,39)
InChIKeyTVYSGMJVJDRPAS-UHFFFAOYSA-N
XLogP6.16
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.63
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide with MolForge

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Related Compounds

2-[5-(3,4-dichlorophenyl)sulfonyl-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
CID 23627521
N-[2-(4-cyanophenyl)ethyl]-2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-6H-phenanthridin-6-yl]acetamide
CID 142786269
N-[2-(4-aminophenyl)ethyl]-2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 11284009
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 34501172
N-[2-[4-(3-aminopropyl)phenyl]ethyl]-2-[1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 11180676
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732371
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 46294811
4-[(5-chloro-2-methoxyphenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide;2,2,2-trifluoroacetic acid
CID 69424719
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide (CID 142786237) is 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide is COc1cccc2c1-c1ccccc1N(S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C2CC(=O)NCCc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
The InChIKey is TVYSGMJVJDRPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N4O4S/c1-44-31-8-4-6-26-30(20-32(41)37-16-15-22-9-12-24(13-10-22)34-38-17-18-39-34)40(29-7-3-2-5-25(29)33(26)31)45(42,43)21-23-11-14-27(35)28(36)19-23/h2-14,19,30H,15-18,20-21H2,1H3,(H,37,41)(H,38,39).
What are the key properties of 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide has a molecular weight of 663.63 g/mol, XLogP of 6.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-dichlorophenyl)methylsulfonyl]-10-methoxy-6H-phenanthridin-6-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 142786237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).