N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone

C88H92N16O8S4 — CID 160672985

IUPACN-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N(C)C(C)C)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccccc4)cs3)n2)c1
InChIInChI=1S/C24H22N4O2S.C22H24N4O2S.C21H22N4O2S.C21H24N4O2S/c1-16(29)18-8-5-9-20(12-18)27-24-25-11-10-21(28-24)22-13-19(15-31-22)23(30)26-14-17-6-3-2-4-7-17;1-15(27)16-6-5-7-18(12-16)24-22-23-9-8-19(25-22)20-13-17(14-29-20)21(28)26-10-3-2-4-11-26;1-14(26)15-5-4-6-17(11-15)23-21-22-8-7-18(24-21)19-12-16(13-28-19)20(27)25-9-2-3-10-25;1-13(2)25(4)20(27)16-11-19(28-12-16)18-8-9-22-21(24-18)23-17-7-5-6-15(10-17)14(3)26/h2-13,15-16,29H,14H2,1H3,(H,26,30)(H,25,27,28);5-9,12-15,27H,2-4,10-11H2,1H3,(H,23,24,25);4-8,11-14,26H,2-3,9-10H2,1H3,(H,22,23,24);5-14,26H,1-4H3,(H,22,23,24)
InChIKeyRNEBXBQZARNIFO-UHFFFAOYSA-N
MW1630.08 g/mol
LogP18.28
Rot. Bonds23

About N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone

N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 160672985) has the molecular formula C88H92N16O8S4 and a molecular weight of 1630.08 g/mol. Its IUPAC name is N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound NameN-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID160672985
Molecular FormulaC88H92N16O8S4
Molecular Weight1630.08 g/mol
Exact Mass1628.62
IUPAC NameN-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N(C)C(C)C)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccccc4)cs3)n2)c1
InChIInChI=1S/C24H22N4O2S.C22H24N4O2S.C21H22N4O2S.C21H24N4O2S/c1-16(29)18-8-5-9-20(12-18)27-24-25-11-10-21(28-24)22-13-19(15-31-22)23(30)26-14-17-6-3-2-4-7-17;1-15(27)16-6-5-7-18(12-16)24-22-23-9-8-19(25-22)20-13-17(14-29-20)21(28)26-10-3-2-4-11-26;1-14(26)15-5-4-6-17(11-15)23-21-22-8-7-18(24-21)19-12-16(13-28-19)20(27)25-9-2-3-10-25;1-13(2)25(4)20(27)16-11-19(28-12-16)18-8-9-22-21(24-18)23-17-7-5-6-15(10-17)14(3)26/h2-13,15-16,29H,14H2,1H3,(H,26,30)(H,25,27,28);5-9,12-15,27H,2-4,10-11H2,1H3,(H,23,24,25);4-8,11-14,26H,2-3,9-10H2,1H3,(H,22,23,24);5-14,26H,1-4H3,(H,22,23,24)
InChIKeyRNEBXBQZARNIFO-UHFFFAOYSA-N
XLogP18.28
TPSA322.19 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001630.08
LogP ≤ 518.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

CID 157777903
CID 157777903
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide
CID 16666699
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone
CID 59468376
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 59468430
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide
CID 59468479
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 59468482
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 59468505
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 59468526
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 59468544
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]thiophene-2-carboxamide
CID 59468557
(4-Ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone
CID 59468602
N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide
CID 59468612

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone (CID 160672985) is N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone is CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N(C)C(C)C)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccccc4)cs3)n2)c1.
What is the InChIKey of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RNEBXBQZARNIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S.C22H24N4O2S.C21H22N4O2S.C21H24N4O2S/c1-16(29)18-8-5-9-20(12-18)27-24-25-11-10-21(28-24)22-13-19(15-31-22)23(30)26-14-17-6-3-2-4-7-17;1-15(27)16-6-5-7-18(12-16)24-22-23-9-8-19(25-22)20-13-17(14-29-20)21(28)26-10-3-2-4-11-26;1-14(26)15-5-4-6-17(11-15)23-21-22-8-7-18(24-21)19-12-16(13-28-19)20(27)25-9-2-3-10-25;1-13(2)25(4)20(27)16-11-19(28-12-16)18-8-9-22-21(24-18)23-17-7-5-6-15(10-17)14(3)26/h2-13,15-16,29H,14H2,1H3,(H,26,30)(H,25,27,28);5-9,12-15,27H,2-4,10-11H2,1H3,(H,23,24,25);4-8,11-14,26H,2-3,9-10H2,1H3,(H,22,23,24);5-14,26H,1-4H3,(H,22,23,24).
What are the key properties of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone?
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 1630.08 g/mol, XLogP of 18.28, 23 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methyl-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 160672985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).