6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide

C18H18N2O4S2 — CID 175883533

IUPAC6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(-c2cc3c(s2)CCC3)ccc1C(=O)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C18H18N2O4S2/c1-24-18-13(17(21)19-12-7-8-26(22,23)10-12)5-6-14(20-18)16-9-11-3-2-4-15(11)25-16/h5-9,12H,2-4,10H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyKQXJINHSQILMJR-GFCCVEGCSA-N
MW390.49 g/mol
LogP2.35
Rot. Bonds4

About 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide

6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 175883533) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID175883533
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Name6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(-c2cc3c(s2)CCC3)ccc1C(=O)N[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C18H18N2O4S2/c1-24-18-13(17(21)19-12-7-8-26(22,23)10-12)5-6-14(20-18)16-9-11-3-2-4-15(11)25-16/h5-9,12H,2-4,10H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyKQXJINHSQILMJR-GFCCVEGCSA-N
XLogP2.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 99938378
7-[1,1-difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxyquinoline-3-carboxamide
CID 176549830
4-azido-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-6-phenylpyridine-3-carboxamide
CID 175883463
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 97122536
5-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluorobenzamide
CID 60704739
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxamide
CID 166277113
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4-methoxyphenyl)urea
CID 43827955
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42234848
tert-butyl-[1-[5-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamoyl]-6-ethoxy-2-pyridinyl]cyclohexyl]carbamic acid
CID 175883496
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 115330965
methyl 2-amino-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetate
CID 22492045
dimethyl 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953631

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide (CID 175883533) is 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide is COc1nc(-c2cc3c(s2)CCC3)ccc1C(=O)N[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is KQXJINHSQILMJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-24-18-13(17(21)19-12-7-8-26(22,23)10-12)5-6-14(20-18)16-9-11-3-2-4-15(11)25-16/h5-9,12H,2-4,10H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide?
6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 175883533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).