N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C16H16ClN3O3S — CID 73453056

IUPACN-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2C=CSC2C1=O)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O3S/c17-11-4-2-1-3-10(11)9-18-13(21)5-7-20-15(22)14-12(6-8-24-14)19-16(20)23/h1-4,6,8,12,14H,5,7,9H2,(H,18,21)(H,19,23)
InChIKeyXSOMRHIZEKOXQG-UHFFFAOYSA-N
MW365.84 g/mol
LogP1.90
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 73453056) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID73453056
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2C=CSC2C1=O)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClN3O3S/c17-11-4-2-1-3-10(11)9-18-13(21)5-7-20-15(22)14-12(6-8-24-14)19-16(20)23/h1-4,6,8,12,14H,5,7,9H2,(H,18,21)(H,19,23)
InChIKeyXSOMRHIZEKOXQG-UHFFFAOYSA-N
XLogP1.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
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3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
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3-chloro-N-[(2-chlorophenyl)methyl]propanamide
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N-(1,3-benzodioxol-5-ylmethyl)-6-[1-[(2-chlorophenyl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-3-yl]hexanamide
CID 78260743
N-[(2-chlorophenyl)methyl]-2-[3-[(4-ethoxyphenyl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]acetamide
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N-[(2-chlorophenyl)methyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
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N-[(2-chlorophenyl)methyl]-3-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propanamide
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N-[(2-chlorophenyl)methyl]-4-oxopentanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (CID 73453056) is N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is O=C(CCN1C(=O)NC2C=CSC2C1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is XSOMRHIZEKOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-11-4-2-1-3-10(11)9-18-13(21)5-7-20-15(22)14-12(6-8-24-14)19-16(20)23/h1-4,6,8,12,14H,5,7,9H2,(H,18,21)(H,19,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 365.84 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 73453056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).