3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide

C19H22N4O5S2 — CID 55450974

IUPAC3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nn2c(C)nc3sccc3c2=O)ccc1OC
InChIInChI=1S/C19H22N4O5S2/c1-5-22(6-2)30(26,27)16-11-13(7-8-15(16)28-4)17(24)21-23-12(3)20-18-14(19(23)25)9-10-29-18/h7-11H,5-6H2,1-4H3,(H,21,24)
InChIKeyAGQXLIPWHJEHCN-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.19
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide

3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide (PubChem CID 55450974) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
PubChem CID55450974
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC Name3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nn2c(C)nc3sccc3c2=O)ccc1OC
InChIInChI=1S/C19H22N4O5S2/c1-5-22(6-2)30(26,27)16-11-13(7-8-15(16)28-4)17(24)21-23-12(3)20-18-14(19(23)25)9-10-29-18/h7-11H,5-6H2,1-4H3,(H,21,24)
InChIKeyAGQXLIPWHJEHCN-UHFFFAOYSA-N
XLogP2.19
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 55450676
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333801
3-(diethylsulfamoyl)-4-methoxy-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 26211930
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
5-[(2-methoxyphenoxy)methyl]-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 55756462
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide (CID 55450974) is 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nn2c(C)nc3sccc3c2=O)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
The InChIKey is AGQXLIPWHJEHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c1-5-22(6-2)30(26,27)16-11-13(7-8-15(16)28-4)17(24)21-23-12(3)20-18-14(19(23)25)9-10-29-18/h7-11H,5-6H2,1-4H3,(H,21,24).
What are the key properties of 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide?
3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide has a molecular weight of 450.54 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 55450974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).