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

C20H31N5O5S2 — CID 126478860

IUPACN-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O
InChIInChI=1S/C20H31N5O5S2/c1-4-23(5-2)8-6-7-21-16(26)13-24-14-22-19-17(20(24)27)18(15(3)31-19)32(28,29)25-9-11-30-12-10-25/h14H,4-13H2,1-3H3,(H,21,26)
InChIKeyOXUTXODTQUHBFD-UHFFFAOYSA-N
MW485.63 g/mol
LogP0.64
Rot. Bonds10

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

N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 126478860) has the molecular formula C20H31N5O5S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID126478860
Molecular FormulaC20H31N5O5S2
Molecular Weight485.63 g/mol
Exact Mass485.18
IUPAC NameN-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O
InChIInChI=1S/C20H31N5O5S2/c1-4-23(5-2)8-6-7-21-16(26)13-24-14-22-19-17(20(24)27)18(15(3)31-19)32(28,29)25-9-11-30-12-10-25/h14H,4-13H2,1-3H3,(H,21,26)
InChIKeyOXUTXODTQUHBFD-UHFFFAOYSA-N
XLogP0.64
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 4137612
2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478883
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 3592262
N-[3-(N-ethyl-3-methylanilino)propyl]-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 5322560
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 3329683
2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 5177406
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methyl-5-morpholin-4-ylsulfonylthieno[2,3-d]pyrimidin-4-one
CID 126478791
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-3-yl]acetamide
CID 98190792
N-[3-(N-ethyl-3-methylanilino)propyl]-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 46504528
N-cycloheptyl-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4050762
2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46503380
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 4065692

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 126478860) is N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCN(CC)CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is OXUTXODTQUHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O5S2/c1-4-23(5-2)8-6-7-21-16(26)13-24-14-22-19-17(20(24)27)18(15(3)31-19)32(28,29)25-9-11-30-12-10-25/h14H,4-13H2,1-3H3,(H,21,26).
What are the key properties of N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 485.63 g/mol, XLogP of 0.64, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 126478860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).