bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide

C105H91N19O13S4 — CID 167667108

IUPACbis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide
SMILESCCc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cc1O.CCc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cc1O.CN1CC(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)n3-c3cccnc3)cc2)C1.CN1CC(C(=O)Nc2ccc(-c3nc4ccsc4c(=O)[nH]3)cc2)C1.COc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cn1
InChIInChI=1S/C24H21N5O2.2C22H19N3O3S.C20H16N4O3S.C17H16N4O2S/c1-28-14-17(15-28)23(30)26-18-10-8-16(9-11-18)22-27-21-7-3-2-6-20(21)24(31)29(22)19-5-4-12-25-13-19;2*1-3-14-6-9-17(12-19(14)27)25-21(24-18-10-11-29-20(18)22(25)28)15-4-7-16(8-5-15)23-13(2)26;1-12(25)22-14-5-3-13(4-6-14)19-23-16-9-10-28-18(16)20(26)24(19)15-7-8-17(27-2)21-11-15;1-21-8-11(9-21)16(22)18-12-4-2-10(3-5-12)15-19-13-6-7-24-14(13)17(23)20-15/h2-13,17H,14-15H2,1H3,(H,26,30);2*4-12,27H,3H2,1-2H3,(H,23,26);3-11H,1-2H3,(H,22,25);2-7,11H,8-9H2,1H3,(H,18,22)(H,19,20,23)
InChIKeySUKDWRHIOISKCS-UHFFFAOYSA-N
MW1955.27 g/mol
LogP17.26
Rot. Bonds19

About bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide

bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide (PubChem CID 167667108) has the molecular formula C105H91N19O13S4 and a molecular weight of 1955.27 g/mol. Its IUPAC name is bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound Namebis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide
PubChem CID167667108
Molecular FormulaC105H91N19O13S4
Molecular Weight1955.27 g/mol
Exact Mass1953.59
IUPAC Namebis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide
SMILESCCc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cc1O.CCc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cc1O.CN1CC(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)n3-c3cccnc3)cc2)C1.CN1CC(C(=O)Nc2ccc(-c3nc4ccsc4c(=O)[nH]3)cc2)C1.COc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cn1
InChIInChI=1S/C24H21N5O2.2C22H19N3O3S.C20H16N4O3S.C17H16N4O2S/c1-28-14-17(15-28)23(30)26-18-10-8-16(9-11-18)22-27-21-7-3-2-6-20(21)24(31)29(22)19-5-4-12-25-13-19;2*1-3-14-6-9-17(12-19(14)27)25-21(24-18-10-11-29-20(18)22(25)28)15-4-7-16(8-5-15)23-13(2)26;1-12(25)22-14-5-3-13(4-6-14)19-23-16-9-10-28-18(16)20(26)24(19)15-7-8-17(27-2)21-11-15;1-21-8-11(9-21)16(22)18-12-4-2-10(3-5-12)15-19-13-6-7-24-14(13)17(23)20-15/h2-13,17H,14-15H2,1H3,(H,26,30);2*4-12,27H,3H2,1-2H3,(H,23,26);3-11H,1-2H3,(H,22,25);2-7,11H,8-9H2,1H3,(H,18,22)(H,19,20,23)
InChIKeySUKDWRHIOISKCS-UHFFFAOYSA-N
XLogP17.26
TPSA412.76 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.27
LogP ≤ 517.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide with MolForge

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Related Compounds

N-[4-[3-[4-ethyl-3-hydroxy-5-[5-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-3-pyridinyl]phenyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide
CID 135170682
3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide;2-phenyl-3-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157375915
3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;N-[5-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]acetamide;3-(4-ethyl-3-hydroxyphenyl)-2-pyridin-3-ylquinazolin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 158702556
3-(3,4-dimethylphenyl)-2-pyridin-3-ylquinazolin-4-one;bis(3-(3,4-dimethylphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one);3-(4-methoxyphenyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-one;3-(3-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 167655955

Frequently Asked Questions

What is the IUPAC name of bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide?
The IUPAC name of bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide (CID 167667108) is bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide?
The canonical SMILES for bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide is CCc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cc1O.CCc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cc1O.CN1CC(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)n3-c3cccnc3)cc2)C1.CN1CC(C(=O)Nc2ccc(-c3nc4ccsc4c(=O)[nH]3)cc2)C1.COc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3ccsc3c2=O)cn1.
What is the InChIKey of bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide?
The InChIKey is SUKDWRHIOISKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2.2C22H19N3O3S.C20H16N4O3S.C17H16N4O2S/c1-28-14-17(15-28)23(30)26-18-10-8-16(9-11-18)22-27-21-7-3-2-6-20(21)24(31)29(22)19-5-4-12-25-13-19;2*1-3-14-6-9-17(12-19(14)27)25-21(24-18-10-11-29-20(18)22(25)28)15-4-7-16(8-5-15)23-13(2)26;1-12(25)22-14-5-3-13(4-6-14)19-23-16-9-10-28-18(16)20(26)24(19)15-7-8-17(27-2)21-11-15;1-21-8-11(9-21)16(22)18-12-4-2-10(3-5-12)15-19-13-6-7-24-14(13)17(23)20-15/h2-13,17H,14-15H2,1H3,(H,26,30);2*4-12,27H,3H2,1-2H3,(H,23,26);3-11H,1-2H3,(H,22,25);2-7,11H,8-9H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide?
bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide has a molecular weight of 1955.27 g/mol, XLogP of 17.26, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[4-[3-(4-ethyl-3-hydroxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide);N-[4-[3-(6-methoxy-3-pyridinyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide;1-methyl-N-[4-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)phenyl]azetidine-3-carboxamide;1-methyl-N-[4-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 167667108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).