N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide

C25H25N3O3S2 — CID 34646455

IUPACN-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CSc1nc2sccc2c(=O)n1C
InChIInChI=1S/C25H25N3O3S2/c1-3-28(15-18-9-11-20(12-10-18)31-16-19-7-5-4-6-8-19)22(29)17-33-25-26-23-21(13-14-32-23)24(30)27(25)2/h4-14H,3,15-17H2,1-2H3
InChIKeyNTAPYQMCDFRZRF-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.71
Rot. Bonds9

About N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide

N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 34646455) has the molecular formula C25H25N3O3S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID34646455
Molecular FormulaC25H25N3O3S2
Molecular Weight479.63 g/mol
Exact Mass479.13
IUPAC NameN-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CSc1nc2sccc2c(=O)n1C
InChIInChI=1S/C25H25N3O3S2/c1-3-28(15-18-9-11-20(12-10-18)31-16-19-7-5-4-6-8-19)22(29)17-33-25-26-23-21(13-14-32-23)24(30)27(25)2/h4-14H,3,15-17H2,1-2H3
InChIKeyNTAPYQMCDFRZRF-UHFFFAOYSA-N
XLogP4.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide 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

N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 78764101
N-benzyl-N-(1-cyclopropylethyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 55399283
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 42979055
N-(2-cyanoethyl)-N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 87018624
N-benzyl-N-ethyl-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 37059286
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646250
N-benzyl-N-ethyl-2-[3-(2-methoxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46921826
N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
N,N-diethyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 78764090
4-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 37141715
3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 2495122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide (CID 34646455) is N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CSc1nc2sccc2c(=O)n1C.
What is the InChIKey of N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is NTAPYQMCDFRZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2/c1-3-28(15-18-9-11-20(12-10-18)31-16-19-7-5-4-6-8-19)22(29)17-33-25-26-23-21(13-14-32-23)24(30)27(25)2/h4-14H,3,15-17H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 479.63 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34646455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).