N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

C17H17N3O3S3 — CID 55448248

IUPACN-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nc3sccc3c(=O)n2C)s1
InChIInChI=1S/C17H17N3O3S3/c1-10(21)18-7-5-11-3-4-14(26-11)13(22)9-25-17-19-15-12(6-8-24-15)16(23)20(17)2/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,21)
InChIKeyDULHJOSIHSYYCM-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.71
Rot. Bonds7

About N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 55448248) has the molecular formula C17H17N3O3S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID55448248
Molecular FormulaC17H17N3O3S3
Molecular Weight407.54 g/mol
Exact Mass407.04
IUPAC NameN-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nc3sccc3c(=O)n2C)s1
InChIInChI=1S/C17H17N3O3S3/c1-10(21)18-7-5-11-3-4-14(26-11)13(22)9-25-17-19-15-12(6-8-24-15)16(23)20(17)2/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,21)
InChIKeyDULHJOSIHSYYCM-UHFFFAOYSA-N
XLogP2.71
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
CID 27352073
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 35790729
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646786
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 46793377
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 51215600
N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 78764101
N-(4-bromophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772686
N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30173583
2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 35772813
3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 2495122
2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 33075550

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (CID 55448248) is N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CSc2nc3sccc3c(=O)n2C)s1.
What is the InChIKey of N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is DULHJOSIHSYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S3/c1-10(21)18-7-5-11-3-4-14(26-11)13(22)9-25-17-19-15-12(6-8-24-15)16(23)20(17)2/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 55448248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).