N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C20H24N4O4S3 — CID 24559093

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ncnc3ccsc23)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C20H24N4O4S3/c1-4-24(5-2)31(26,27)17-11-14(7-8-16(17)28-6-3)23-18(25)12-30-20-19-15(9-10-29-19)21-13-22-20/h7-11,13H,4-6,12H2,1-3H3,(H,23,25)
InChIKeyKLSWSOPRSGNEGR-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.85
Rot. Bonds10

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 24559093) has the molecular formula C20H24N4O4S3 and a molecular weight of 480.64 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID24559093
Molecular FormulaC20H24N4O4S3
Molecular Weight480.64 g/mol
Exact Mass480.10
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ncnc3ccsc23)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C20H24N4O4S3/c1-4-24(5-2)31(26,27)17-11-14(7-8-16(17)28-6-3)23-18(25)12-30-20-19-15(9-10-29-19)21-13-22-20/h7-11,13H,4-6,12H2,1-3H3,(H,23,25)
InChIKeyKLSWSOPRSGNEGR-UHFFFAOYSA-N
XLogP3.85
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 4187636
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123788
N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34244719
N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 17418273
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 55640136
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337309
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 24559093) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is CCOc1ccc(NC(=O)CSc2ncnc3ccsc23)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is KLSWSOPRSGNEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S3/c1-4-24(5-2)31(26,27)17-11-14(7-8-16(17)28-6-3)23-18(25)12-30-20-19-15(9-10-29-19)21-13-22-20/h7-11,13H,4-6,12H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 480.64 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 24559093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).