3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C23H23N5O4S2 — CID 4613852

IUPAC3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(SCC(=O)NCc4ccco4)n(N)c(=O)c3c2C)c(C)c1
InChIInChI=1S/C23H23N5O4S2/c1-12-6-7-16(13(2)9-12)26-20(30)19-14(3)18-21(34-19)27-23(28(24)22(18)31)33-11-17(29)25-10-15-5-4-8-32-15/h4-9H,10-11,24H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyMRARBGXLVMAZOJ-UHFFFAOYSA-N
MW497.60 g/mol
LogP3.35
Rot. Bonds7

About 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4613852) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4613852
Molecular FormulaC23H23N5O4S2
Molecular Weight497.60 g/mol
Exact Mass497.12
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(SCC(=O)NCc4ccco4)n(N)c(=O)c3c2C)c(C)c1
InChIInChI=1S/C23H23N5O4S2/c1-12-6-7-16(13(2)9-12)26-20(30)19-14(3)18-21(34-19)27-23(28(24)22(18)31)33-11-17(29)25-10-15-5-4-8-32-15/h4-9H,10-11,24H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyMRARBGXLVMAZOJ-UHFFFAOYSA-N
XLogP3.35
TPSA132.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084661
N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2567762
3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 4613857
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070141
N-(2,4-dimethylphenyl)-2-[3-(2-methoxyethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 3173200
3-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 50789227
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 1281399
methyl 3-amino-2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 46254739

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 4613852) is 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)c2sc3nc(SCC(=O)NCc4ccco4)n(N)c(=O)c3c2C)c(C)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MRARBGXLVMAZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-12-6-7-16(13(2)9-12)26-20(30)19-14(3)18-21(34-19)27-23(28(24)22(18)31)33-11-17(29)25-10-15-5-4-8-32-15/h4-9H,10-11,24H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4613852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).