2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C15H12I2N2O2S — CID 4503670

IUPAC2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cc(I)ccc2I)sc2c1CCC2
InChIInChI=1S/C15H12I2N2O2S/c16-7-4-5-10(17)9(6-7)14(21)19-15-12(13(18)20)8-2-1-3-11(8)22-15/h4-6H,1-3H2,(H2,18,20)(H,19,21)
InChIKeyZYLQDDOZSZEWPN-UHFFFAOYSA-N
MW538.15 g/mol
LogP3.80
Rot. Bonds3

About 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 4503670) has the molecular formula C15H12I2N2O2S and a molecular weight of 538.15 g/mol. Its IUPAC name is 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID4503670
Molecular FormulaC15H12I2N2O2S
Molecular Weight538.15 g/mol
Exact Mass537.87
IUPAC Name2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cc(I)ccc2I)sc2c1CCC2
InChIInChI=1S/C15H12I2N2O2S/c16-7-4-5-10(17)9(6-7)14(21)19-15-12(13(18)20)8-2-1-3-11(8)22-15/h4-6H,1-3H2,(H2,18,20)(H,19,21)
InChIKeyZYLQDDOZSZEWPN-UHFFFAOYSA-N
XLogP3.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.15
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-diiodobenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 4504963
2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4511414
2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1325782
2-[(2,5-difluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4766689
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
2-N,5-N-bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2,5-dicarboxamide
CID 5228452
2-[(5-chloro-2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1239727
2-[(2-iodobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18561003
2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4990020
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
2-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5215688

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 4503670) is 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2cc(I)ccc2I)sc2c1CCC2.
What is the InChIKey of 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is ZYLQDDOZSZEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12I2N2O2S/c16-7-4-5-10(17)9(6-7)14(21)19-15-12(13(18)20)8-2-1-3-11(8)22-15/h4-6H,1-3H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 538.15 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diiodobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 4503670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).