N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide

C24H26N2O5S — CID 19119128

IUPACN-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide
SMILESCCOCCCNC(=O)c1c(NC(=O)c2cc(=O)c3cccc(C)c3o2)sc2c1CCC2
InChIInChI=1S/C24H26N2O5S/c1-3-30-12-6-11-25-23(29)20-16-9-5-10-19(16)32-24(20)26-22(28)18-13-17(27)15-8-4-7-14(2)21(15)31-18/h4,7-8,13H,3,5-6,9-12H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyHKZZLHKWSCWSSD-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.06
Rot. Bonds8

About N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide

N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide (PubChem CID 19119128) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide
PubChem CID19119128
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide
SMILESCCOCCCNC(=O)c1c(NC(=O)c2cc(=O)c3cccc(C)c3o2)sc2c1CCC2
InChIInChI=1S/C24H26N2O5S/c1-3-30-12-6-11-25-23(29)20-16-9-5-10-19(16)32-24(20)26-22(28)18-13-17(27)15-8-4-7-14(2)21(15)31-18/h4,7-8,13H,3,5-6,9-12H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyHKZZLHKWSCWSSD-UHFFFAOYSA-N
XLogP4.06
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4-oxochromene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2339438
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-ethoxypropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 19114632
N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 2582619
4-oxo-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-2-carboxamide
CID 40775936
6-methyl-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]chromene-2-carboxamide
CID 40775949
N-(3-ethoxypropyl)-2-[[2-(5-fluoro-1-benzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18860666
N-[6-tert-butyl-3-[(1,1-dioxothiolan-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119150
6-methyl-4-oxo-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-2-carboxamide
CID 40850867
N-[3-(3-ethoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-hydroxy-4,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135785410
2-[(4-bromobenzoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 46813686
2-[(3-methoxy-4-methylbenzoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55413104
N-(3-methoxypropyl)-2-[(3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 31966117

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide (CID 19119128) is N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide is CCOCCCNC(=O)c1c(NC(=O)c2cc(=O)c3cccc(C)c3o2)sc2c1CCC2.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide?
The InChIKey is HKZZLHKWSCWSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-3-30-12-6-11-25-23(29)20-16-9-5-10-19(16)32-24(20)26-22(28)18-13-17(27)15-8-4-7-14(2)21(15)31-18/h4,7-8,13H,3,5-6,9-12H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-8-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19119128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).