acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C24H28Cl2N2O4S — CID 143271486

About acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 143271486) has the molecular formula C24H28Cl2N2O4S and a molecular weight of 511.47 g/mol. Its IUPAC name is acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
• PubChem CID: 143271486
• Molecular Formula: C24H28Cl2N2O4S
• Molecular Weight: 511.47 g/mol
• Exact Mass: 510.11
• IUPAC Name: acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
• SMILES: CC(=O)O.COCCCC(C)[C@@H]1c2ccccc2CC1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
• InChI: InChI=1S/C22H24Cl2N2O2S.C2H4O2/c1-12(6-5-9-28-2)18-14-8-4-3-7-13(14)10-15(18)26-22(27)16-11-17-20(25-16)19(23)21(24)29-17;1-2(3)4/h3-4,7-8,11-12,15,18,25H,5-6,9-10H2,1-2H3,(H,26,27);1H3,(H,3,4)/t12?,15?,18-;/m1./s1
• InChIKey: RLVDVJMKZCRXQC-AHTLKWNTSA-N
• XLogP: 6.13
• TPSA: 91.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.47
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The IUPAC name of acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 143271486) is acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

What is the SMILES notation for acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The canonical SMILES for acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is CC(=O)O.COCCCC(C)[C@@H]1c2ccccc2CC1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1.

What is the InChIKey of acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The InChIKey is RLVDVJMKZCRXQC-AHTLKWNTSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2S.C2H4O2/c1-12(6-5-9-28-2)18-14-8-4-3-7-13(14)10-15(18)26-22(27)16-11-17-20(25-16)19(23)21(24)29-17;1-2(3)4/h3-4,7-8,11-12,15,18,25H,5-6,9-10H2,1-2H3,(H,26,27);1H3,(H,3,4)/t12?,15?,18-;/m1./s1.

What are the key properties of acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?

acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 511.47 g/mol, XLogP of 6.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 143271486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).