N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide

C18H19N3O5S — CID 6619110

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)cc1OC
InChIInChI=1S/C18H19N3O5S/c1-25-13-4-3-11(9-14(13)26-2)5-7-19-15(22)10-21-17(23)16-12(6-8-27-16)20-18(21)24/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyDSKYECBTRFQHAT-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.13
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 6619110) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID6619110
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)cc1OC
InChIInChI=1S/C18H19N3O5S/c1-25-13-4-3-11(9-14(13)26-2)5-7-19-15(22)10-21-17(23)16-12(6-8-27-16)20-18(21)24/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyDSKYECBTRFQHAT-UHFFFAOYSA-N
XLogP1.13
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxybenzyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
CID 4670836
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 10692195
3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 71454559
2-(1-{[(3-Methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-D]pyrimidin-3-YL)-N-[(4-methylphenyl)methyl]acetamide
CID 15989128
2-(1-{[(3-Methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-D]pyrimidin-3-YL)-N-(2-phenylethyl)acetamide
CID 15989132
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}thiophene-2-carboxamide
CID 4016701
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-D]pyrimidin-3-YL}butanamide
CID 15989047
3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(2-methoxybenzyl)propanamide
CID 3235634
3-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3236531
3-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3243630
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)pentanamide
CID 3707602
4-(1-benzyl-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-methoxyphenyl)butanamide
CID 6621364

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide (CID 6619110) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide is COc1ccc(CCNC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is DSKYECBTRFQHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-25-13-4-3-11(9-14(13)26-2)5-7-19-15(22)10-21-17(23)16-12(6-8-27-16)20-18(21)24/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 6619110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).