2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide

C19H23N3OS2 — CID 56727416

IUPAC2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCCC1=NC(SCC(=O)Nc2cccc(C)c2)c2cc(CC)sc2N1
InChIInChI=1S/C19H23N3OS2/c1-4-14-10-15-18(21-16(5-2)22-19(15)25-14)24-11-17(23)20-13-8-6-7-12(3)9-13/h6-10,18H,4-5,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPHZIFRFNYWNSJF-UHFFFAOYSA-N
MW373.55 g/mol
LogP5.22
Rot. Bonds6

About 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide

2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 56727416) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID56727416
Molecular FormulaC19H23N3OS2
Molecular Weight373.55 g/mol
Exact Mass373.13
IUPAC Name2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCCC1=NC(SCC(=O)Nc2cccc(C)c2)c2cc(CC)sc2N1
InChIInChI=1S/C19H23N3OS2/c1-4-14-10-15-18(21-16(5-2)22-19(15)25-14)24-11-17(23)20-13-8-6-7-12(3)9-13/h6-10,18H,4-5,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPHZIFRFNYWNSJF-UHFFFAOYSA-N
XLogP5.22
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 2660669
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
N-(3-methylphenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 78792369
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 24701812
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
N-[2-(1-adamantyl)ethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 26878699

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide (CID 56727416) is 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide is CCC1=NC(SCC(=O)Nc2cccc(C)c2)c2cc(CC)sc2N1.
What is the InChIKey of 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is PHZIFRFNYWNSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-4-14-10-15-18(21-16(5-2)22-19(15)25-14)24-11-17(23)20-13-8-6-7-12(3)9-13/h6-10,18H,4-5,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 373.55 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 56727416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).