N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

C22H25N3O3S — CID 55409251

IUPACN-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(-c2cc3ncn(CC(=O)NCC4CCCCC4)c(=O)c3s2)cc1
InChIInChI=1S/C22H25N3O3S/c1-28-17-9-7-16(8-10-17)19-11-18-21(29-19)22(27)25(14-24-18)13-20(26)23-12-15-5-3-2-4-6-15/h7-11,14-15H,2-6,12-13H2,1H3,(H,23,26)
InChIKeyJESXVWKSJIIAOA-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.83
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 55409251) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID55409251
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(-c2cc3ncn(CC(=O)NCC4CCCCC4)c(=O)c3s2)cc1
InChIInChI=1S/C22H25N3O3S/c1-28-17-9-7-16(8-10-17)19-11-18-21(29-19)22(27)25(14-24-18)13-20(26)23-12-15-5-3-2-4-6-15/h7-11,14-15H,2-6,12-13H2,1H3,(H,23,26)
InChIKeyJESXVWKSJIIAOA-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 51582557
6-(4-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 51582551
6-(4-methoxyphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 7636696
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 7636710
N-(4-bromophenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 55412333
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682
N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 7636955
3-(3-hydroxypropyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 110892016
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
CID 7803603
(2-oxo-2-propan-2-yloxyethyl) 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 37170753
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8626048
pyridin-2-ylmethyl 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 55414172

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (CID 55409251) is N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is COc1ccc(-c2cc3ncn(CC(=O)NCC4CCCCC4)c(=O)c3s2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is JESXVWKSJIIAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-28-17-9-7-16(8-10-17)19-11-18-21(29-19)22(27)25(14-24-18)13-20(26)23-12-15-5-3-2-4-6-15/h7-11,14-15H,2-6,12-13H2,1H3,(H,23,26).
What are the key properties of N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 55409251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).