N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide

C28H30N4O2S — CID 50843153

IUPACN-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C28H30N4O2S/c1-19-3-7-21(8-4-19)17-29-26(33)23-11-14-31(15-12-23)28-30-24-13-16-35-25(24)27(34)32(28)18-22-9-5-20(2)6-10-22/h3-10,13,16,23H,11-12,14-15,17-18H2,1-2H3,(H,29,33)
InChIKeyCEXKHRDDZSULEQ-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.66
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide

N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 50843153) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID50843153
Molecular FormulaC28H30N4O2S
Molecular Weight486.64 g/mol
Exact Mass486.21
IUPAC NameN-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C28H30N4O2S/c1-19-3-7-21(8-4-19)17-29-26(33)23-11-14-31(15-12-23)28-30-24-13-16-35-25(24)27(34)32(28)18-22-9-5-20(2)6-10-22/h3-10,13,16,23H,11-12,14-15,17-18H2,1-2H3,(H,29,33)
InChIKeyCEXKHRDDZSULEQ-UHFFFAOYSA-N
XLogP4.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-methylphenyl)-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 50843441
1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50843175
N-[(4-methoxyphenyl)methyl]-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 50843225
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
N-[(3,4-dimethylphenyl)methyl]-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 50843123
1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 50843254
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899438
(3S)-N-(3-fluorophenyl)-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899416
(3S)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide
CID 92899474
(3S)-N-(cyclopropylmethyl)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 95113749
(3R)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92899499
N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 46397045

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide (CID 50843153) is N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3Cc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is CEXKHRDDZSULEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2S/c1-19-3-7-21(8-4-19)17-29-26(33)23-11-14-31(15-12-23)28-30-24-13-16-35-25(24)27(34)32(28)18-22-9-5-20(2)6-10-22/h3-10,13,16,23H,11-12,14-15,17-18H2,1-2H3,(H,29,33).
What are the key properties of N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50843153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).