N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C18H17F2N3O3S2 — CID 42979055

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2sccc2c(=O)n1C
InChIInChI=1S/C18H17F2N3O3S2/c1-22(9-11-3-5-12(6-4-11)26-17(19)20)14(24)10-28-18-21-15-13(7-8-27-15)16(25)23(18)2/h3-8,17H,9-10H2,1-2H3
InChIKeyJQVLATWMXJPEHT-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.35
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 42979055) has the molecular formula C18H17F2N3O3S2 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID42979055
Molecular FormulaC18H17F2N3O3S2
Molecular Weight425.48 g/mol
Exact Mass425.07
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2sccc2c(=O)n1C
InChIInChI=1S/C18H17F2N3O3S2/c1-22(9-11-3-5-12(6-4-11)26-17(19)20)14(24)10-28-18-21-15-13(7-8-27-15)16(25)23(18)2/h3-8,17H,9-10H2,1-2H3
InChIKeyJQVLATWMXJPEHT-UHFFFAOYSA-N
XLogP3.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 35772813
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
CID 37059220
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646250
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 32877486
N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 34646455
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 37061557
N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 78764101
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 51318098
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564017
3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 2495122
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 38668932

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 42979055) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1nc2sccc2c(=O)n1C.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JQVLATWMXJPEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3S2/c1-22(9-11-3-5-12(6-4-11)26-17(19)20)14(24)10-28-18-21-15-13(7-8-27-15)16(25)23(18)2/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 425.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 42979055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).