3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide

C26H23N3O2S — CID 29496936

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H23N3O2S/c30-23(9-11-29-15-28-25-21(26(29)31)10-12-32-25)27-14-16-13-22-17-5-1-3-7-19(17)24(16)20-8-4-2-6-18(20)22/h1-8,10,12,15-16,22,24H,9,11,13-14H2,(H,27,30)/t16-,22?,24?/m1/s1
InChIKeyFVUDOVOIDCZICT-RZDLDHBLSA-N
MW441.56 g/mol
LogP4.26
Rot. Bonds5

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide (PubChem CID 29496936) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide
PubChem CID29496936
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H23N3O2S/c30-23(9-11-29-15-28-25-21(26(29)31)10-12-32-25)27-14-16-13-22-17-5-1-3-7-19(17)24(16)20-8-4-2-6-18(20)22/h1-8,10,12,15-16,22,24H,9,11,13-14H2,(H,27,30)/t16-,22?,24?/m1/s1
InChIKeyFVUDOVOIDCZICT-RZDLDHBLSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide with MolForge

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Related Compounds

3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 55509278
N-[(3-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111460304
N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 53498479
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 94632810
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30693618
N-[(1-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111446065
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091
N-[(3-chlorophenyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 26014591
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 51314616
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55634142

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide (CID 29496936) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide is O=C(CCn1cnc2sccc2c1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide?
The InChIKey is FVUDOVOIDCZICT-RZDLDHBLSA-N. The full InChI is InChI=1S/C26H23N3O2S/c30-23(9-11-29-15-28-25-21(26(29)31)10-12-32-25)27-14-16-13-22-17-5-1-3-7-19(17)24(16)20-8-4-2-6-18(20)22/h1-8,10,12,15-16,22,24H,9,11,13-14H2,(H,27,30)/t16-,22?,24?/m1/s1.
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide has a molecular weight of 441.56 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide is sourced from PubChem (CID 29496936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).