2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide

C29H23Cl2F2N5O5S — CID 11549216

IUPAC2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide
SMILESCc1noc(-c2c(F)cccc2-c2ccc(C(C)NC(=O)CC3C(=O)NC=CN3S(=O)(=O)c3cccc(Cl)c3Cl)c(F)c2)n1
InChIInChI=1S/C29H23Cl2F2N5O5S/c1-15(18-10-9-17(13-22(18)33)19-5-3-7-21(32)26(19)29-36-16(2)37-43-29)35-25(39)14-23-28(40)34-11-12-38(23)44(41,42)24-8-4-6-20(30)27(24)31/h3-13,15,23H,14H2,1-2H3,(H,34,40)(H,35,39)
InChIKeyGNPWGEVYVVMJTN-UHFFFAOYSA-N
MW662.50 g/mol
LogP5.52
Rot. Bonds8

About 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide

2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide (PubChem CID 11549216) has the molecular formula C29H23Cl2F2N5O5S and a molecular weight of 662.50 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide
PubChem CID11549216
Molecular FormulaC29H23Cl2F2N5O5S
Molecular Weight662.50 g/mol
Exact Mass661.08
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide
SMILESCc1noc(-c2c(F)cccc2-c2ccc(C(C)NC(=O)CC3C(=O)NC=CN3S(=O)(=O)c3cccc(Cl)c3Cl)c(F)c2)n1
InChIInChI=1S/C29H23Cl2F2N5O5S/c1-15(18-10-9-17(13-22(18)33)19-5-3-7-21(32)26(19)29-36-16(2)37-43-29)35-25(39)14-23-28(40)34-11-12-38(23)44(41,42)24-8-4-6-20(30)27(24)31/h3-13,15,23H,14H2,1-2H3,(H,34,40)(H,35,39)
InChIKeyGNPWGEVYVVMJTN-UHFFFAOYSA-N
XLogP5.52
TPSA134.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.50
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide with MolForge

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Related Compounds

tert-butyl N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]carbamate
CID 90739985
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 68946506
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57398238
2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-propan-2-ylacetamide
CID 69037010
N-[4-chloro-2-[1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10075786
1-[(1R)-1-[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-3-[(2-fluoroacetyl)amino]urea
CID 70858951
(3R)-3-[2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-1,3-dihydropyrazin-2-one
CID 57399887
2-[(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(1-cyclopropylazepan-4-yl)acetamide
CID 68944958
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924603
2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31666442
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
1-[1-[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-3-[(2,2,2-trifluoroacetyl)amino]urea
CID 90904829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide (CID 11549216) is 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide is Cc1noc(-c2c(F)cccc2-c2ccc(C(C)NC(=O)CC3C(=O)NC=CN3S(=O)(=O)c3cccc(Cl)c3Cl)c(F)c2)n1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide?
The InChIKey is GNPWGEVYVVMJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2F2N5O5S/c1-15(18-10-9-17(13-22(18)33)19-5-3-7-21(32)26(19)29-36-16(2)37-43-29)35-25(39)14-23-28(40)34-11-12-38(23)44(41,42)24-8-4-6-20(30)27(24)31/h3-13,15,23H,14H2,1-2H3,(H,34,40)(H,35,39).
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide?
2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide has a molecular weight of 662.50 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 11549216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).