N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

C18H15N3O3S — CID 41088479

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESC[C@H](NC(=O)Cn1cnc2ccsc2c1=O)c1cc2ccccc2o1
InChIInChI=1S/C18H15N3O3S/c1-11(15-8-12-4-2-3-5-14(12)24-15)20-16(22)9-21-10-19-13-6-7-25-17(13)18(21)23/h2-8,10-11H,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyRVSXQZJBHDUAQF-NSHDSACASA-N
MW353.40 g/mol
LogP3.08
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 41088479) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID41088479
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESC[C@H](NC(=O)Cn1cnc2ccsc2c1=O)c1cc2ccccc2o1
InChIInChI=1S/C18H15N3O3S/c1-11(15-8-12-4-2-3-5-14(12)24-15)20-16(22)9-21-10-19-13-6-7-25-17(13)18(21)23/h2-8,10-11H,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyRVSXQZJBHDUAQF-NSHDSACASA-N
XLogP3.08
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25347204
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39013196
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 55706810
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 41088479) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is C[C@H](NC(=O)Cn1cnc2ccsc2c1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is RVSXQZJBHDUAQF-NSHDSACASA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11(15-8-12-4-2-3-5-14(12)24-15)20-16(22)9-21-10-19-13-6-7-25-17(13)18(21)23/h2-8,10-11H,9H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 41088479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).