2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide

C19H20N4O6S2 — CID 55450676

IUPAC2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nn1c(C)nc2sccc2c1=O
InChIInChI=1S/C19H20N4O6S2/c1-12-20-18-14(5-10-30-18)19(25)23(12)21-17(24)15-11-13(3-4-16(15)28-2)31(26,27)22-6-8-29-9-7-22/h3-5,10-11H,6-9H2,1-2H3,(H,21,24)
InChIKeyMXKIWSONJQUFMH-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.18
Rot. Bonds5

About 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide

2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55450676) has the molecular formula C19H20N4O6S2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55450676
Molecular FormulaC19H20N4O6S2
Molecular Weight464.53 g/mol
Exact Mass464.08
IUPAC Name2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nn1c(C)nc2sccc2c1=O
InChIInChI=1S/C19H20N4O6S2/c1-12-20-18-14(5-10-30-18)19(25)23(12)21-17(24)15-11-13(3-4-16(15)28-2)31(26,27)22-6-8-29-9-7-22/h3-5,10-11H,6-9H2,1-2H3,(H,21,24)
InChIKeyMXKIWSONJQUFMH-UHFFFAOYSA-N
XLogP1.18
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55528408
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
CID 55450974
2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 27845372
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55903780
dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26737021
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 55450676) is 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nn1c(C)nc2sccc2c1=O.
What is the InChIKey of 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MXKIWSONJQUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6S2/c1-12-20-18-14(5-10-30-18)19(25)23(12)21-17(24)15-11-13(3-4-16(15)28-2)31(26,27)22-6-8-29-9-7-22/h3-5,10-11H,6-9H2,1-2H3,(H,21,24).
What are the key properties of 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 464.53 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55450676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).