2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C15H18N4O4S3 — CID 50769858

IUPAC2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1nc(SCC(=O)NCC2CCCO2)ncc1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N4O4S3/c16-14-11(26(21,22)13-4-2-6-24-13)8-18-15(19-14)25-9-12(20)17-7-10-3-1-5-23-10/h2,4,6,8,10H,1,3,5,7,9H2,(H,17,20)(H2,16,18,19)
InChIKeyLEWIWIDSIROSNP-UHFFFAOYSA-N
MW414.53 g/mol
LogP1.34
Rot. Bonds7

About 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 50769858) has the molecular formula C15H18N4O4S3 and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID50769858
Molecular FormulaC15H18N4O4S3
Molecular Weight414.53 g/mol
Exact Mass414.05
IUPAC Name2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1nc(SCC(=O)NCC2CCCO2)ncc1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N4O4S3/c16-14-11(26(21,22)13-4-2-6-24-13)8-18-15(19-14)25-9-12(20)17-7-10-3-1-5-23-10/h2,4,6,8,10H,1,3,5,7,9H2,(H,17,20)(H2,16,18,19)
InChIKeyLEWIWIDSIROSNP-UHFFFAOYSA-N
XLogP1.34
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94071647
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 27372796
N-[[(2S)-oxolan-2-yl]methyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9266565
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2567274
2-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 42902681
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2200753
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 50769858) is 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Nc1nc(SCC(=O)NCC2CCCO2)ncc1S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LEWIWIDSIROSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S3/c16-14-11(26(21,22)13-4-2-6-24-13)8-18-15(19-14)25-9-12(20)17-7-10-3-1-5-23-10/h2,4,6,8,10H,1,3,5,7,9H2,(H,17,20)(H2,16,18,19).
What are the key properties of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 414.53 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 50769858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).