(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide

C97H96N12O14S3 — CID 158548116

About (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 158548116) has the molecular formula C97H96N12O14S3 and a molecular weight of 1750.11 g/mol. Its IUPAC name is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 158548116
• Molecular Formula: C97H96N12O14S3
• Molecular Weight: 1750.11 g/mol
• Exact Mass: 1748.63
• IUPAC Name: (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CCOc1ccc(CC(=O)CCSCCC(=O)Nc2ccc(OCC)cc2)cc1.COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)NCc1ccccc1.Cc1cc(SCC(=O)NCc2ccco2)nc2ccccc12.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12
• InChI: InChI=1S/C25H22N2O4.C23H29NO4S.C19H20N4O2.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;1-3-27-21-9-5-18(6-10-21)17-20(25)13-15-29-16-14-23(26)24-19-7-11-22(12-8-19)28-4-2;1-14-7-9-15(10-8-14)20-12-18(24)25-13-17-11-21-19(23-17)22-16-5-3-2-4-6-16;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);5-12H,3-4,13-17H2,1-2H3,(H,24,26);2-11,20H,12-13H2,1H3,(H2,21,22,23);2-9H,10-11H2,1H3,(H,18,20);1-7,15H,(H,14,16,18)/b20-13+
• InChIKey: HPJNWHGSVQZBSP-VHRJBDHUSA-N
• XLogP: 18.24
• TPSA: 350.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1750.11
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

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': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide (CID 158548116) is (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide is CCOc1ccc(CC(=O)CCSCCC(=O)Nc2ccc(OCC)cc2)cc1.COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)NCc1ccccc1.Cc1cc(SCC(=O)NCc2ccco2)nc2ccccc12.Cc1ccc(NCC(=O)OCc2cnc(Nc3ccccc3)[nH]2)cc1.O=C(Nc1nccs1)C(=O)c1c[nH]c2ccccc12.

What is the InChIKey of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is HPJNWHGSVQZBSP-VHRJBDHUSA-N. The full InChI is InChI=1S/C25H22N2O4.C23H29NO4S.C19H20N4O2.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;1-3-27-21-9-5-18(6-10-21)17-20(25)13-15-29-16-14-23(26)24-19-7-11-22(12-8-19)28-4-2;1-14-7-9-15(10-8-14)20-12-18(24)25-13-17-11-21-19(23-17)22-16-5-3-2-4-6-16;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);5-12H,3-4,13-17H2,1-2H3,(H,24,26);2-11,20H,12-13H2,1H3,(H2,21,22,23);2-9H,10-11H2,1H3,(H,18,20);1-7,15H,(H,14,16,18)/b20-13+;;;;.

What are the key properties of (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide?

(2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 1750.11 g/mol, XLogP of 18.24, 35 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2-anilino-1H-imidazol-5-yl)methyl 2-(4-methylanilino)acetate;N-benzyl-2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide;N-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxobutyl]sulfanylpropanamide;N-(furan-2-ylmethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide;2-(1H-indol-3-yl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 158548116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).