3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride

C105H141ClFN17O18S3 — CID 158095244

About 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride

3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride (PubChem CID 158095244) has the molecular formula C105H141ClFN17O18S3 and a molecular weight of 2080.04 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride.

Molecular Properties

• Compound Name: 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride
• PubChem CID: 158095244
• Molecular Formula: C105H141ClFN17O18S3
• Molecular Weight: 2080.04 g/mol
• Exact Mass: 2077.95
• IUPAC Name: 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride
• SMILES: CCOC(=O)CCCN.CN(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1.CN(C(=O)c1ccc(NCCCO)c(N)c1)C1CCCCC1.CN(C(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(N)n2CCCO)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCOC(=O)c1cccs1)C1CCCCC1.O=C(Cl)c1cccs1
• InChI: InChI=1S/C28H30N4O4S2.C18H26N4O2.C17H25N3O4.C17H27N3O2.C14H17FN2O3.C6H13NO2.C5H3ClOS/c1-31(20-8-3-2-4-9-20)26(34)19-12-13-22-21(18-19)29-28(30-25(33)23-10-5-16-37-23)32(22)14-7-15-36-27(35)24-11-6-17-38-24;1-21(14-6-3-2-4-7-14)17(24)13-8-9-16-15(12-13)20-18(19)22(16)10-5-11-23;1-19(14-6-3-2-4-7-14)17(22)13-8-9-15(18-10-5-11-21)16(12-13)20(23)24;1-20(14-6-3-2-4-7-14)17(22)13-8-9-16(15(18)12-13)19-10-5-11-21;1-16(11-5-3-2-4-6-11)14(18)10-7-8-12(15)13(9-10)17(19)20;1-2-9-6(8)4-3-5-7;6-5(7)4-2-1-3-8-4/h5-6,10-13,16-18,20H,2-4,7-9,14-15H2,1H3,(H,29,30,33);8-9,12,14,23H,2-7,10-11H2,1H3,(H2,19,20);8-9,12,14,18,21H,2-7,10-11H2,1H3;8-9,12,14,19,21H,2-7,10-11,18H2,1H3;7-9,11H,2-6H2,1H3;2-5,7H2,1H3;1-3H
• InChIKey: FOOWJVLIWPJHLD-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 485.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.04
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride?

The IUPAC name of 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride (CID 158095244) is 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride.

What is the SMILES notation for 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride?

The canonical SMILES for 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride is CCOC(=O)CCCN.CN(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1.CN(C(=O)c1ccc(NCCCO)c(N)c1)C1CCCCC1.CN(C(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(N)n2CCCO)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCOC(=O)c1cccs1)C1CCCCC1.O=C(Cl)c1cccs1.

What is the InChIKey of 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride?

The InChIKey is FOOWJVLIWPJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4S2.C18H26N4O2.C17H25N3O4.C17H27N3O2.C14H17FN2O3.C6H13NO2.C5H3ClOS/c1-31(20-8-3-2-4-9-20)26(34)19-12-13-22-21(18-19)29-28(30-25(33)23-10-5-16-37-23)32(22)14-7-15-36-27(35)24-11-6-17-38-24;1-21(14-6-3-2-4-7-14)17(24)13-8-9-16-15(12-13)20-18(19)22(16)10-5-11-23;1-19(14-6-3-2-4-7-14)17(22)13-8-9-15(18-10-5-11-21)16(12-13)20(23)24;1-20(14-6-3-2-4-7-14)17(22)13-8-9-16(15(18)12-13)19-10-5-11-21;1-16(11-5-3-2-4-6-11)14(18)10-7-8-12(15)13(9-10)17(19)20;1-2-9-6(8)4-3-5-7;6-5(7)4-2-1-3-8-4/h5-6,10-13,16-18,20H,2-4,7-9,14-15H2,1H3,(H,29,30,33);8-9,12,14,23H,2-7,10-11H2,1H3,(H2,19,20);8-9,12,14,18,21H,2-7,10-11H2,1H3;8-9,12,14,19,21H,2-7,10-11,18H2,1H3;7-9,11H,2-6H2,1H3;2-5,7H2,1H3;1-3H.

What are the key properties of 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride?

3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride has a molecular weight of 2080.04 g/mol, XLogP of 19.28, 35 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-cyclohexyl-4-(3-hydroxypropylamino)-N-methylbenzamide;2-amino-N-cyclohexyl-1-(3-hydroxypropyl)-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-4-fluoro-N-methyl-3-nitrobenzamide;N-cyclohexyl-4-(3-hydroxypropylamino)-N-methyl-3-nitrobenzamide;3-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]propyl thiophene-2-carboxylate;ethyl 4-aminobutanoate;thiophene-2-carbonyl chloride is sourced from PubChem (CID 158095244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).