N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

C23H24N4OS2 — CID 18269123

IUPACN-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2nc(-c3cccs3)nc3sc(C)c(C)c23)c1C
InChIInChI=1S/C23H24N4OS2/c1-13-8-6-9-17(14(13)2)24-19(28)12-27(5)22-20-15(3)16(4)30-23(20)26-21(25-22)18-10-7-11-29-18/h6-11H,12H2,1-5H3,(H,24,28)
InChIKeyFKYFWHJGAWRMFC-UHFFFAOYSA-N
MW436.61 g/mol
LogP5.73
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (PubChem CID 18269123) has the molecular formula C23H24N4OS2 and a molecular weight of 436.61 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
PubChem CID18269123
Molecular FormulaC23H24N4OS2
Molecular Weight436.61 g/mol
Exact Mass436.14
IUPAC NameN-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)c2nc(-c3cccs3)nc3sc(C)c(C)c23)c1C
InChIInChI=1S/C23H24N4OS2/c1-13-8-6-9-17(14(13)2)24-19(28)12-27(5)22-20-15(3)16(4)30-23(20)26-21(25-22)18-10-7-11-29-18/h6-11H,12H2,1-5H3,(H,24,28)
InChIKeyFKYFWHJGAWRMFC-UHFFFAOYSA-N
XLogP5.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.61
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetate
CID 17402660
N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 17418739
N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195432
N-(2,3-dimethylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409147
N-[2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 18081556
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 9110827
N-(2,3-dimethylphenyl)-2-[methyl-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9195581
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581
N-[3-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
CID 26012076
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 27808046

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (CID 18269123) is N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is Cc1cccc(NC(=O)CN(C)c2nc(-c3cccs3)nc3sc(C)c(C)c23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is FKYFWHJGAWRMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS2/c1-13-8-6-9-17(14(13)2)24-19(28)12-27(5)22-20-15(3)16(4)30-23(20)26-21(25-22)18-10-7-11-29-18/h6-11H,12H2,1-5H3,(H,24,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 436.61 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 18269123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).