2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C19H21N5O5S2 — CID 3240985

IUPAC2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N5O5S2/c1-13-17(31(27,28)24-6-8-29-9-7-24)16-18(30-13)22-12-23(19(16)26)11-15(25)21-10-14-4-2-3-5-20-14/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyORTLGELQTVYLRN-UHFFFAOYSA-N
MW463.54 g/mol
LogP0.50
Rot. Bonds6

About 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 3240985) has the molecular formula C19H21N5O5S2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID3240985
Molecular FormulaC19H21N5O5S2
Molecular Weight463.54 g/mol
Exact Mass463.10
IUPAC Name2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N5O5S2/c1-13-17(31(27,28)24-6-8-29-9-7-24)16-18(30-13)22-12-23(19(16)26)11-15(25)21-10-14-4-2-3-5-20-14/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyORTLGELQTVYLRN-UHFFFAOYSA-N
XLogP0.50
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,5-dimethyl-4-oxo-3-{2-oxo-2-[(pyridin-3-ylmethyl)amino]ethyl}-N-(pyridin-3-ylmethyl)-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxamide
CID 659114
2-[6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(6-methylpyridin-2-yl)acetamide
CID 3238496
6-Methyl-3-{2-oxo-2-[4-(pyridin-2-YL)piperazin-1-YL]ethyl}-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-D]pyrimidin-4-one
CID 3335410
N-[3-(diethylamino)propyl]-2-[6-methyl-4-oxo-5-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
CID 16193907
N-(3-isopropoxypropyl)-2-[6-methyl-4-oxo-5-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
CID 16193911
N-(3-methoxypropyl)-2-[6-methyl-4-oxo-5-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
CID 16194054
N-(sec-butyl)-2-[6-methyl-4-oxo-5-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
CID 16195504
6-Methyl-5-[(4-methylpiperidin-1-YL)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-YL)piperazin-1-YL]ethyl}-3H,4H-thieno[2,3-D]pyrimidin-4-one
CID 3453578
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 3244037
N-(3-ethoxypropyl)-2-[6-methyl-4-oxo-5-[(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
CID 16194000
6-Methyl-3-[2-(morpholin-4-YL)ethyl]-4-oxo-N-(6-sulfamoylpyridin-3-YL)-3H,4H-thieno[2,3-D]pyrimidine-5-carboxamide
CID 71035748
N-[6-(aminosulfonyl)-3-pyridyl]-3-[3-(dimethylamino)propyl]-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
CID 71035972

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 3240985) is 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ORTLGELQTVYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5S2/c1-13-17(31(27,28)24-6-8-29-9-7-24)16-18(30-13)22-12-23(19(16)26)11-15(25)21-10-14-4-2-3-5-20-14/h2-5,12H,6-11H2,1H3,(H,21,25).
What are the key properties of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 463.54 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 3240985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).