N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C18H17F2N3O2S2 — CID 7362656

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(OC(F)F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H17F2N3O2S2/c1-9-10(2)27-17-15(9)16(21-11(3)22-17)26-8-14(24)23-12-4-6-13(7-5-12)25-18(19)20/h4-7,18H,8H2,1-3H3,(H,23,24)
InChIKeyKWHMAXMWFPBMKP-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.95
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 7362656) has the molecular formula C18H17F2N3O2S2 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID7362656
Molecular FormulaC18H17F2N3O2S2
Molecular Weight409.48 g/mol
Exact Mass409.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc(OC(F)F)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H17F2N3O2S2/c1-9-10(2)27-17-15(9)16(21-11(3)22-17)26-8-14(24)23-12-4-6-13(7-5-12)25-18(19)20/h4-7,18H,8H2,1-3H3,(H,23,24)
InChIKeyKWHMAXMWFPBMKP-UHFFFAOYSA-N
XLogP4.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362661
N-(3-acetylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4822103
N-(3,4-difluorophenyl)-2-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide
CID 26560482
N-(2-fluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1076016
(2-anilino-2-oxoethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7743088
N-(4-methylphenyl)-2-[methyl-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetamide
CID 4821403
N-(2-iodophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 41213688
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362604
methyl 4-methyl-3-[[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 7680314
N-(2-ethoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1440700
methyl 4-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2403813
N-pentan-3-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680393

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 7362656) is N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccc(OC(F)F)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is KWHMAXMWFPBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S2/c1-9-10(2)27-17-15(9)16(21-11(3)22-17)26-8-14(24)23-12-4-6-13(7-5-12)25-18(19)20/h4-7,18H,8H2,1-3H3,(H,23,24).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 409.48 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7362656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).