N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C22H19N3OS2 — CID 9389594

IUPACN-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3OS2/c26-20(14-28-22-18-11-12-27-21(18)23-15-24-22)25-19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,15,19H,13-14H2,(H,25,26)/t19-/m0/s1
InChIKeyOWHTYFAWWRPUGK-IBGZPJMESA-N
MW405.55 g/mol
LogP4.88
Rot. Bonds7

About N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 9389594) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID9389594
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC NameN-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3OS2/c26-20(14-28-22-18-11-12-27-21(18)23-15-24-22)25-19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,15,19H,13-14H2,(H,25,26)/t19-/m0/s1
InChIKeyOWHTYFAWWRPUGK-IBGZPJMESA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889497
N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707946
N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41078126
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41061274
N-benzhydryl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17480949
N-[[(2R)-butan-2-yl]carbamoyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889493
N-[(1S)-1,2-diphenylethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8538466
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 4880072
N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
CID 43028222
N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 16541563
1-(4-benzylpiperidin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707951

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 9389594) is N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2sccc12)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is OWHTYFAWWRPUGK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19N3OS2/c26-20(14-28-22-18-11-12-27-21(18)23-15-24-22)25-19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,15,19H,13-14H2,(H,25,26)/t19-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 405.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 9389594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).