N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide

C20H23N3O2S2 — CID 55574473

IUPACN,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nc2ccsc2c(=O)n1CC)c1ccccc1
InChIInChI=1S/C20H23N3O2S2/c1-4-22(5-2)18(24)16(14-10-8-7-9-11-14)27-20-21-15-12-13-26-17(15)19(25)23(20)6-3/h7-13,16H,4-6H2,1-3H3
InChIKeyKZYBFTLEDJPDGA-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.18
Rot. Bonds7

About N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide

N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 55574473) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
PubChem CID55574473
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC NameN,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nc2ccsc2c(=O)n1CC)c1ccccc1
InChIInChI=1S/C20H23N3O2S2/c1-4-22(5-2)18(24)16(14-10-8-7-9-11-14)27-20-21-15-12-13-26-17(15)19(25)23(20)6-3/h7-13,16H,4-6H2,1-3H3
InChIKeyKZYBFTLEDJPDGA-UHFFFAOYSA-N
XLogP4.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 51209080
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403
N-benzyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide
CID 46567831
3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
CID 3484012
N-(cyanomethyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 30803808
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 46567853
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 35198091
3-ethyl-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 55573916
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 46567854
3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46661639
N-benzyl-N-ethyl-2-[3-(2-methoxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46921826
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide (CID 55574473) is N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide is CCN(CC)C(=O)C(Sc1nc2ccsc2c(=O)n1CC)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is KZYBFTLEDJPDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-4-22(5-2)18(24)16(14-10-8-7-9-11-14)27-20-21-15-12-13-26-17(15)19(25)23(20)6-3/h7-13,16H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide?
N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 401.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 55574473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).