N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole

C65H70Cl5N9O12S4 — CID 167565592

IUPACN-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole
SMILESCCCOc1c(Cl)cc(-c2ccc(OCc3ccnc(NS(C)(=O)=O)n3)s2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(CCc3ocnc3S(C)(=O)=O)nc2)cc1Cl.CCCOc1c(Cl)cc(C(C)(C)c2cnc(CCc3ocnc3S(C)(=O)=O)nc2)cc1Cl
InChIInChI=1S/C23H26Cl2N2O4S.C22H25Cl2N3O4S.C20H19ClN4O4S2/c1-5-10-30-21-18(24)11-16(12-19(21)25)23(2,3)15-6-7-17(26-13-15)8-9-20-22(27-14-31-20)32(4,28)29;1-5-8-30-20-16(23)9-14(10-17(20)24)22(2,3)15-11-25-19(26-12-15)7-6-18-21(27-13-31-18)32(4,28)29;1-3-8-28-19-14(11-22)9-13(10-16(19)21)17-4-5-18(30-17)29-12-15-6-7-23-20(24-15)25-31(2,26)27/h6-7,11-14H,5,8-10H2,1-4H3;9-13H,5-8H2,1-4H3;4-7,9-10H,3,8,12H2,1-2H3,(H,23,24,25)
InChIKeyFFWAGGRNHCDUIL-UHFFFAOYSA-N
MW1474.86 g/mol
LogP15.22
Rot. Bonds27

About N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole

N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole (PubChem CID 167565592) has the molecular formula C65H70Cl5N9O12S4 and a molecular weight of 1474.86 g/mol. Its IUPAC name is N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole.

Molecular Properties

Compound NameN-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole
PubChem CID167565592
Molecular FormulaC65H70Cl5N9O12S4
Molecular Weight1474.86 g/mol
Exact Mass1471.25
IUPAC NameN-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole
SMILESCCCOc1c(Cl)cc(-c2ccc(OCc3ccnc(NS(C)(=O)=O)n3)s2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(CCc3ocnc3S(C)(=O)=O)nc2)cc1Cl.CCCOc1c(Cl)cc(C(C)(C)c2cnc(CCc3ocnc3S(C)(=O)=O)nc2)cc1Cl
InChIInChI=1S/C23H26Cl2N2O4S.C22H25Cl2N3O4S.C20H19ClN4O4S2/c1-5-10-30-21-18(24)11-16(12-19(21)25)23(2,3)15-6-7-17(26-13-15)8-9-20-22(27-14-31-20)32(4,28)29;1-5-8-30-20-16(23)9-14(10-17(20)24)22(2,3)15-11-25-19(26-12-15)7-6-18-21(27-13-31-18)32(4,28)29;1-3-8-28-19-14(11-22)9-13(10-16(19)21)17-4-5-18(30-17)29-12-15-6-7-23-20(24-15)25-31(2,26)27/h6-7,11-14H,5,8-10H2,1-4H3;9-13H,5-8H2,1-4H3;4-7,9-10H,3,8,12H2,1-2H3,(H,23,24,25)
InChIKeyFFWAGGRNHCDUIL-UHFFFAOYSA-N
XLogP15.22
TPSA291.67 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001474.86
LogP ≤ 515.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole with MolForge

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Related Compounds

N-[4-[[1-(3-chloro-5-cyano-4-propoxyphenyl)-3H-isoindol-5-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide
CID 167656462
N-[4-[[3-(3-chloro-5-cyano-4-propoxyphenyl)-1-benzothiophen-6-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide
CID 167537131
2-[5-[2-chloro-6-cyano-4-[2-[4-[[2-(methanesulfonamido)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]pentoxy]acetic acid
CID 162689872
N-[5-[[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-4-methylpyrimidin-2-yl]methanesulfonamide
CID 167651711
N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]-4-(3-chloro-5-cyano-4-ethoxyphenyl)-4-[4-[[2-(methanesulfonamido)pyrimidin-4-yl]methoxy]phenyl]pentan-2-yl]anilino]methyl]pyrimidin-2-yl]methanesulfonamide
CID 155154695
N-[4-[2-[4-[2-(4-butoxy-3-chloro-5-cyanophenyl)propan-2-yl]phenyl]ethyl]-1,3-oxazol-2-yl]methanesulfonamide
CID 159694793
N-[6-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]methanesulfonamide
CID 167675513
N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]ethenesulfonamide
CID 155145108
N-[2-[[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-1,3-oxazol-4-yl]methanesulfonamide
CID 159299094
N-[4-[[3-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]-1-benzothiophen-6-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide
CID 166044740
N-[7-[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]methanesulfonamide
CID 159613261
N-[4-[[4-[2-(3-chloro-5-cyano-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-N-methylmethanesulfonamide
CID 158654846

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole?
The IUPAC name of N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole (CID 167565592) is N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole.
What is the SMILES notation for N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole?
The canonical SMILES for N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole is CCCOc1c(Cl)cc(-c2ccc(OCc3ccnc(NS(C)(=O)=O)n3)s2)cc1C#N.CCCOc1c(Cl)cc(C(C)(C)c2ccc(CCc3ocnc3S(C)(=O)=O)nc2)cc1Cl.CCCOc1c(Cl)cc(C(C)(C)c2cnc(CCc3ocnc3S(C)(=O)=O)nc2)cc1Cl.
What is the InChIKey of N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole?
The InChIKey is FFWAGGRNHCDUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4S.C22H25Cl2N3O4S.C20H19ClN4O4S2/c1-5-10-30-21-18(24)11-16(12-19(21)25)23(2,3)15-6-7-17(26-13-15)8-9-20-22(27-14-31-20)32(4,28)29;1-5-8-30-20-16(23)9-14(10-17(20)24)22(2,3)15-11-25-19(26-12-15)7-6-18-21(27-13-31-18)32(4,28)29;1-3-8-28-19-14(11-22)9-13(10-16(19)21)17-4-5-18(30-17)29-12-15-6-7-23-20(24-15)25-31(2,26)27/h6-7,11-14H,5,8-10H2,1-4H3;9-13H,5-8H2,1-4H3;4-7,9-10H,3,8,12H2,1-2H3,(H,23,24,25).
What are the key properties of N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole?
N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole has a molecular weight of 1474.86 g/mol, XLogP of 15.22, 27 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3-chloro-5-cyano-4-propoxyphenyl)thiophen-2-yl]oxymethyl]pyrimidin-2-yl]methanesulfonamide;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]-2-pyridinyl]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[2-[5-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]pyrimidin-2-yl]ethyl]-4-methylsulfonyl-1,3-oxazole is sourced from PubChem (CID 167565592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).