N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate

C98H95N9O16S3 — CID 158549785

About N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate

N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate (PubChem CID 158549785) has the molecular formula C98H95N9O16S3 and a molecular weight of 1751.09 g/mol. Its IUPAC name is N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate.

Molecular Properties

• Compound Name: N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
• PubChem CID: 158549785
• Molecular Formula: C98H95N9O16S3
• Molecular Weight: 1751.09 g/mol
• Exact Mass: 1749.61
• IUPAC Name: N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
• SMILES: CCCc1ccc(NC(=O)CCSCCC(=O)Cc2ccc(OCC)cc2)cc1.COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)NCc1ccccc1.COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.Cc1cc(SCC(=O)NCc2ccco2)nc2ccccc12.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12
• InChI: InChI=1S/C25H22N2O4.C24H31NO3S.C19H17NO5.C17H16N2O2S.C13H9N3O2S/c1-30-23-14-18(13-20-19-9-5-6-10-21(19)27-25(20)29)11-12-22(23)31-16-24(28)26-15-17-7-3-2-4-8-17;1-3-5-19-6-10-21(11-7-19)25-24(27)15-17-29-16-14-22(26)18-20-8-12-23(13-9-20)28-4-2;1-24-13-8-10-14(11-9-13)25-17(21)7-4-12-20-18(22)15-5-2-3-6-16(15)19(20)23;1-12-9-17(19-15-7-3-2-6-14(12)15)22-11-16(20)18-10-13-5-4-8-21-13;17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29);6-13H,3-5,14-18H2,1-2H3,(H,25,27);2-3,5-6,8-11H,4,7,12H2,1H3;2-9H,10-11H2,1H3,(H,18,20);1-7,15H,(H,14,16,18)/b20-13+
• InChIKey: HPOMPRWGUOISIV-VHRJBDHUSA-N
• XLogP: 17.85
• TPSA: 334.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 34
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1751.09
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?

The IUPAC name of N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate (CID 158549785) is N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate.

What is the SMILES notation for N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?

The canonical SMILES for N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate is CCCc1ccc(NC(=O)CCSCCC(=O)Cc2ccc(OCC)cc2)cc1.COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)NCc1ccccc1.COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.Cc1cc(SCC(=O)NCc2ccco2)nc2ccccc12.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12.

What is the InChIKey of N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?

The InChIKey is HPOMPRWGUOISIV-VHRJBDHUSA-N. The full InChI is InChI=1S/C25H22N2O4.C24H31NO3S.C19H17NO5.C17H16N2O2S.C13H9N3O2S/c1-30-23-14-18(13-20-19-9-5-6-10-21(19)27-25(20)29)11-12-22(23)31-16-24(28)26-15-17-7-3-2-4-8-17;1-3-5-19-6-10-21(11-7-19)25-24(27)15-17-29-16-14-22(26)18-20-8-12-23(13-9-20)28-4-2;1-24-13-8-10-14(11-9-13)25-17(21)7-4-12-20-18(22)15-5-2-3-6-16(15)19(20)23;1-12-9-17(19-15-7-3-2-6-14(12)15)22-11-16(20)18-10-13-5-4-8-21-13;17-11(12(18)16-13-14-5-6-19-13)9-7-15-10-4-2-1-3-8(9)10/h2-14H,15-16H2,1H3,(H,26,28)(H,27,29);6-13H,3-5,14-18H2,1-2H3,(H,25,27);2-3,5-6,8-11H,4,7,12H2,1H3;2-9H,10-11H2,1H3,(H,18,20);1-7,15H,(H,14,16,18)/b20-13+;;;;.

What are the key properties of N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?

N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate has a molecular weight of 1751.09 g/mol, XLogP of 17.85, 34 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanyl-N-(4-propylphenyl)propanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide;(4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate is sourced from PubChem (CID 158549785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).