3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide

C87H75F6I3N12O18S5 — CID 158867754

IUPAC3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cc(-c3ccccc3)ccc2O)c1.COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2O)c1.COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2OC)c1.Cc1cc(I)cc(C(=O)NC(=S)Nc2ccc(I)cc2[N+](=O)[O-])c1.Cc1cc(I)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H20N2O4S.C18H17F3N2O4S.C17H15F3N2O4S.C15H11I2N3O3S.C15H12IN3O3S/c1-27-17-10-16(11-18(13-17)28-2)21(26)24-22(29)23-19-12-15(8-9-20(19)25)14-6-4-3-5-7-14;1-25-12-6-10(7-13(9-12)26-2)16(24)23-17(28)22-14-8-11(18(19,20)21)4-5-15(14)27-3;1-25-11-5-9(6-12(8-11)26-2)15(24)22-16(27)21-13-7-10(17(18,19)20)3-4-14(13)23;1-8-4-9(6-11(17)5-8)14(21)19-15(24)18-12-3-2-10(16)7-13(12)20(22)23;1-9-5-10(7-11(16)6-9)14(20)18-15(23)17-12-3-2-4-13(8-12)19(21)22/h3-13,25H,1-2H3,(H2,23,24,26,29);4-9H,1-3H3,(H2,22,23,24,28);3-8,23H,1-2H3,(H2,21,22,24,27);2-7H,1H3,(H2,18,19,21,24);2-8H,1H3,(H2,17,18,20,23)
InChIKeyJBLMNFNZIFYIJR-UHFFFAOYSA-N
MW2231.66 g/mol
LogP19.49
Rot. Bonds20

About 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide

3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide (PubChem CID 158867754) has the molecular formula C87H75F6I3N12O18S5 and a molecular weight of 2231.66 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
PubChem CID158867754
Molecular FormulaC87H75F6I3N12O18S5
Molecular Weight2231.66 g/mol
Exact Mass2230.10
IUPAC Name3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(=S)Nc2cc(-c3ccccc3)ccc2O)c1.COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2O)c1.COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2OC)c1.Cc1cc(I)cc(C(=O)NC(=S)Nc2ccc(I)cc2[N+](=O)[O-])c1.Cc1cc(I)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H20N2O4S.C18H17F3N2O4S.C17H15F3N2O4S.C15H11I2N3O3S.C15H12IN3O3S/c1-27-17-10-16(11-18(13-17)28-2)21(26)24-22(29)23-19-12-15(8-9-20(19)25)14-6-4-3-5-7-14;1-25-12-6-10(7-13(9-12)26-2)16(24)23-17(28)22-14-8-11(18(19,20)21)4-5-15(14)27-3;1-25-11-5-9(6-12(8-11)26-2)15(24)22-16(27)21-13-7-10(17(18,19)20)3-4-14(13)23;1-8-4-9(6-11(17)5-8)14(21)19-15(24)18-12-3-2-10(16)7-13(12)20(22)23;1-9-5-10(7-11(16)6-9)14(20)18-15(23)17-12-3-2-4-13(8-12)19(21)22/h3-13,25H,1-2H3,(H2,23,24,26,29);4-9H,1-3H3,(H2,22,23,24,28);3-8,23H,1-2H3,(H2,21,22,24,27);2-7H,1H3,(H2,18,19,21,24);2-8H,1H3,(H2,17,18,20,23)
InChIKeyJBLMNFNZIFYIJR-UHFFFAOYSA-N
XLogP19.49
TPSA397.00 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002231.66
LogP ≤ 519.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide with MolForge

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Related Compounds

3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide
CID 121459639
N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-4-phenylbenzamide
CID 4939789
1-(5-tert-butyl-2-hydroxyphenyl)-3-(3-nitrophenyl)thiourea
CID 17381101
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17104146
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
4-tert-butyl-N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]benzamide
CID 56600775
4-methyl-3-nitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 18823000
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
CID 7918318
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide
CID 22780703
3-[(4-nitrobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168227
N-[(4,5-dimethyl-2-nitrophenyl)carbamothioyl]benzamide
CID 2940908
4-methoxy-3-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid
CID 91673621

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide (CID 158867754) is 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide is COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(-c3ccccc3)ccc2O)c1.COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2O)c1.COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2OC)c1.Cc1cc(I)cc(C(=O)NC(=S)Nc2ccc(I)cc2[N+](=O)[O-])c1.Cc1cc(I)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide?
The InChIKey is JBLMNFNZIFYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S.C18H17F3N2O4S.C17H15F3N2O4S.C15H11I2N3O3S.C15H12IN3O3S/c1-27-17-10-16(11-18(13-17)28-2)21(26)24-22(29)23-19-12-15(8-9-20(19)25)14-6-4-3-5-7-14;1-25-12-6-10(7-13(9-12)26-2)16(24)23-17(28)22-14-8-11(18(19,20)21)4-5-15(14)27-3;1-25-11-5-9(6-12(8-11)26-2)15(24)22-16(27)21-13-7-10(17(18,19)20)3-4-14(13)23;1-8-4-9(6-11(17)5-8)14(21)19-15(24)18-12-3-2-10(16)7-13(12)20(22)23;1-9-5-10(7-11(16)6-9)14(20)18-15(23)17-12-3-2-4-13(8-12)19(21)22/h3-13,25H,1-2H3,(H2,23,24,26,29);4-9H,1-3H3,(H2,22,23,24,28);3-8,23H,1-2H3,(H2,21,22,24,27);2-7H,1H3,(H2,18,19,21,24);2-8H,1H3,(H2,17,18,20,23).
What are the key properties of 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide?
3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide has a molecular weight of 2231.66 g/mol, XLogP of 19.49, 20 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]-3,5-dimethoxybenzamide;N-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide;3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide;3-iodo-5-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 158867754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).