N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide

C90H71ClN14O12S5 — CID 159229647

IUPACN-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C2=Nc3ccccc3C2)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccncc23)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3sccc23)c1)c1ccc(N2CCS2(=O)=O)cc1
InChIInChI=1S/C23H18ClN3O3S.C23H18N4O3S.C22H18N4O3S.C22H17N3O3S2/c24-20-10-7-17(14-19(20)22-13-16-3-1-2-4-21(16)26-22)25-23(28)15-5-8-18(9-6-15)27-11-12-31(27,29)30;28-23(17-4-6-20(7-5-17)27-12-13-31(27,29)30)26-19-3-1-2-18(14-19)22-21-15-24-10-8-16(21)9-11-25-22;27-22(16-4-6-19(7-5-16)26-12-13-30(26,28)29)25-18-3-1-2-17(14-18)21-20-15(8-10-23-20)9-11-24-21;26-22(15-4-6-18(7-5-15)25-11-13-30(25,27)28)24-17-3-1-2-16(14-17)21-19-9-12-29-20(19)8-10-23-21/h1-10,14H,11-13H2,(H,25,28);1-11,14-15H,12-13H2,(H,26,28);1-11,14,23H,12-13H2,(H,25,27);1-10,12,14H,11,13H2,(H,24,26)
InChIKeyKSSULXNFJJSITB-UHFFFAOYSA-N
MW1736.43 g/mol
LogP16.12
Rot. Bonds16

About N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide

N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide (PubChem CID 159229647) has the molecular formula C90H71ClN14O12S5 and a molecular weight of 1736.43 g/mol. Its IUPAC name is N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide
PubChem CID159229647
Molecular FormulaC90H71ClN14O12S5
Molecular Weight1736.43 g/mol
Exact Mass1734.37
IUPAC NameN-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C2=Nc3ccccc3C2)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccncc23)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3sccc23)c1)c1ccc(N2CCS2(=O)=O)cc1
InChIInChI=1S/C23H18ClN3O3S.C23H18N4O3S.C22H18N4O3S.C22H17N3O3S2/c24-20-10-7-17(14-19(20)22-13-16-3-1-2-4-21(16)26-22)25-23(28)15-5-8-18(9-6-15)27-11-12-31(27,29)30;28-23(17-4-6-20(7-5-17)27-12-13-31(27,29)30)26-19-3-1-2-18(14-19)22-21-15-24-10-8-16(21)9-11-25-22;27-22(16-4-6-19(7-5-16)26-12-13-30(26,28)29)25-18-3-1-2-17(14-18)21-20-15(8-10-23-20)9-11-24-21;26-22(15-4-6-18(7-5-15)25-11-13-30(25,27)28)24-17-3-1-2-16(14-17)21-19-9-12-29-20(19)8-10-23-21/h1-10,14H,11-13H2,(H,25,28);1-11,14-15H,12-13H2,(H,26,28);1-11,14,23H,12-13H2,(H,25,27);1-10,12,14H,11,13H2,(H,24,26)
InChIKeyKSSULXNFJJSITB-UHFFFAOYSA-N
XLogP16.12
TPSA345.63 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.43
LogP ≤ 516.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide?
The IUPAC name of N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide (CID 159229647) is N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide is O=C(Nc1ccc(Cl)c(C2=Nc3ccccc3C2)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3cc[nH]c23)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3ccncc23)c1)c1ccc(N2CCS2(=O)=O)cc1.O=C(Nc1cccc(-c2nccc3sccc23)c1)c1ccc(N2CCS2(=O)=O)cc1.
What is the InChIKey of N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide?
The InChIKey is KSSULXNFJJSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S.C23H18N4O3S.C22H18N4O3S.C22H17N3O3S2/c24-20-10-7-17(14-19(20)22-13-16-3-1-2-4-21(16)26-22)25-23(28)15-5-8-18(9-6-15)27-11-12-31(27,29)30;28-23(17-4-6-20(7-5-17)27-12-13-31(27,29)30)26-19-3-1-2-18(14-19)22-21-15-24-10-8-16(21)9-11-25-22;27-22(16-4-6-19(7-5-16)26-12-13-30(26,28)29)25-18-3-1-2-17(14-18)21-20-15(8-10-23-20)9-11-24-21;26-22(15-4-6-18(7-5-15)25-11-13-30(25,27)28)24-17-3-1-2-16(14-17)21-19-9-12-29-20(19)8-10-23-21/h1-10,14H,11-13H2,(H,25,28);1-11,14-15H,12-13H2,(H,26,28);1-11,14,23H,12-13H2,(H,25,27);1-10,12,14H,11,13H2,(H,24,26).
What are the key properties of N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide?
N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide has a molecular weight of 1736.43 g/mol, XLogP of 16.12, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(3H-indol-2-yl)phenyl]-4-(1,1-dioxothiazetidin-2-yl)benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(2,7-naphthyridin-1-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-7-yl)phenyl]benzamide;4-(1,1-dioxothiazetidin-2-yl)-N-(3-thieno[3,2-c]pyridin-4-ylphenyl)benzamide is sourced from PubChem (CID 159229647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).