methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C19H19N3O4S2 — CID 15993141

IUPACmethyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCn1cnc2sc(C(=O)Nc3sc4c(c3C(=O)OC)CCC4)c(C)c2c1=O
InChIInChI=1S/C19H19N3O4S2/c1-4-22-8-20-16-12(18(22)24)9(2)14(28-16)15(23)21-17-13(19(25)26-3)10-6-5-7-11(10)27-17/h8H,4-7H2,1-3H3,(H,21,23)
InChIKeyMQNHFHSPGOTRAT-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.38
Rot. Bonds4

About methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 15993141) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID15993141
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Namemethyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCn1cnc2sc(C(=O)Nc3sc4c(c3C(=O)OC)CCC4)c(C)c2c1=O
InChIInChI=1S/C19H19N3O4S2/c1-4-22-8-20-16-12(18(22)24)9(2)14(28-16)15(23)21-17-13(19(25)26-3)10-6-5-7-11(10)27-17/h8H,4-7H2,1-3H3,(H,21,23)
InChIKeyMQNHFHSPGOTRAT-UHFFFAOYSA-N
XLogP3.38
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 38849108
methyl 2-[[2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 38849309
propan-2-yl 3-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 40824396
N-butan-2-yl-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23941131
3-ethyl-N-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5142859
N-(3-chlorophenyl)-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15992768
methyl 2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1167079
methyl 2-[(2,4,6-trimethylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 718811
methyl 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetate
CID 773007
ethyl 2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19474224
ethyl 2-[[2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 44636499
ethyl 2-[(3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 110502787

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 15993141) is methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCn1cnc2sc(C(=O)Nc3sc4c(c3C(=O)OC)CCC4)c(C)c2c1=O.
What is the InChIKey of methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is MQNHFHSPGOTRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-4-22-8-20-16-12(18(22)24)9(2)14(28-16)15(23)21-17-13(19(25)26-3)10-6-5-7-11(10)27-17/h8H,4-7H2,1-3H3,(H,21,23).
What are the key properties of methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 15993141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).