2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde

C93H99N7O15S2 — CID 157118825

About 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde

2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde (PubChem CID 157118825) has the molecular formula C93H99N7O15S2 and a molecular weight of 1618.98 g/mol. Its IUPAC name is 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde.

Molecular Properties

• Compound Name: 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde
• PubChem CID: 157118825
• Molecular Formula: C93H99N7O15S2
• Molecular Weight: 1618.98 g/mol
• Exact Mass: 1617.66
• IUPAC Name: 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde
• SMILES: COc1cc(OC)c(-c2cccs2)cc1C=O.COc1cc(OC)c(-c2ccsc2)cc1C=O.COc1ccc(-n2ccc3cc(C=O)ccc32)cc1.COc1ccc(NC(=O)CCc2c(C)c(C=O)n(C)c2C)cc1.Cc1c(CCC(=O)NCCN2CCOCC2)c(C)n(C)c1C=O.Cc1ccc(-n2ccc3cc(C=O)ccc32)cc1
• InChI: InChI=1S/C18H22N2O3.C17H27N3O3.C16H13NO2.C16H13NO.2C13H12O3S/c1-12-16(13(2)20(3)17(12)11-21)9-10-18(22)19-14-5-7-15(23-4)8-6-14;1-13-15(14(2)19(3)16(13)12-21)4-5-17(22)18-6-7-20-8-10-23-11-9-20;1-19-15-5-3-14(4-6-15)17-9-8-13-10-12(11-18)2-7-16(13)17;1-12-2-5-15(6-3-12)17-9-8-14-10-13(11-18)4-7-16(14)17;1-15-12-6-13(16-2)11(5-10(12)7-14)9-3-4-17-8-9;1-15-11-7-12(16-2)10(6-9(11)8-14)13-4-3-5-17-13/h5-8,11H,9-10H2,1-4H3,(H,19,22);12H,4-11H2,1-3H3,(H,18,22);2-11H,1H3;2-11H,1H3;2*3-8H,1-2H3
• InChIKey: AHSJJUCFISEJCI-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 248.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.98
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde?

The IUPAC name of 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde (CID 157118825) is 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde.

What is the SMILES notation for 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde?

The canonical SMILES for 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde is COc1cc(OC)c(-c2cccs2)cc1C=O.COc1cc(OC)c(-c2ccsc2)cc1C=O.COc1ccc(-n2ccc3cc(C=O)ccc32)cc1.COc1ccc(NC(=O)CCc2c(C)c(C=O)n(C)c2C)cc1.Cc1c(CCC(=O)NCCN2CCOCC2)c(C)n(C)c1C=O.Cc1ccc(-n2ccc3cc(C=O)ccc32)cc1.

What is the InChIKey of 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde?

The InChIKey is AHSJJUCFISEJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.C17H27N3O3.C16H13NO2.C16H13NO.2C13H12O3S/c1-12-16(13(2)20(3)17(12)11-21)9-10-18(22)19-14-5-7-15(23-4)8-6-14;1-13-15(14(2)19(3)16(13)12-21)4-5-17(22)18-6-7-20-8-10-23-11-9-20;1-19-15-5-3-14(4-6-15)17-9-8-13-10-12(11-18)2-7-16(13)17;1-12-2-5-15(6-3-12)17-9-8-14-10-13(11-18)4-7-16(14)17;1-15-12-6-13(16-2)11(5-10(12)7-14)9-3-4-17-8-9;1-15-11-7-12(16-2)10(6-9(11)8-14)13-4-3-5-17-13/h5-8,11H,9-10H2,1-4H3,(H,19,22);12H,4-11H2,1-3H3,(H,18,22);2-11H,1H3;2-11H,1H3;2*3-8H,1-2H3.

What are the key properties of 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde?

2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde has a molecular weight of 1618.98 g/mol, XLogP of 17.56, 26 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-5-thiophen-2-ylbenzaldehyde;2,4-dimethoxy-5-thiophen-3-ylbenzaldehyde;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(4-methoxyphenyl)propanamide;3-(5-formyl-1,2,4-trimethylpyrrol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide;1-(4-methoxyphenyl)indole-5-carbaldehyde;1-(4-methylphenyl)indole-5-carbaldehyde is sourced from PubChem (CID 157118825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).