2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride

C86H82Cl2N12O18S4 — CID 162240361

IUPAC2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride
SMILESCOc1ccccc1NC(=O)c1c(N)cccc1S(=O)(=O)c1ccc(C)cc1.COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc([N+](=O)[O-])cc1.COc1ccccc1NC(=O)c1c(NC(=O)CN)cccc1S(=O)(=O)c1ccc(C)cc1.COc1ccccc1NC(=O)c1c(NC(=O)CN)cccc1Sc1ccc([N+](=O)[O-])cc1.Cl.Cl
InChIInChI=1S/C23H23N3O5S.C22H20N4O5S.C21H20N2O4S.C20H17N3O4S.2ClH/c1-15-10-12-16(13-11-15)32(29,30)20-9-5-7-18(25-21(27)14-24)22(20)23(28)26-17-6-3-4-8-19(17)31-2;1-31-18-7-3-2-5-16(18)25-22(28)21-17(24-20(27)13-23)6-4-8-19(21)32-15-11-9-14(10-12-15)26(29)30;1-14-10-12-15(13-11-14)28(25,26)19-9-5-6-16(22)20(19)21(24)23-17-7-3-4-8-18(17)27-2;1-27-17-7-3-2-6-16(17)22-20(24)19-15(21)5-4-8-18(19)28-14-11-9-13(10-12-14)23(25)26;;/h3-13H,14,24H2,1-2H3,(H,25,27)(H,26,28);2-12H,13,23H2,1H3,(H,24,27)(H,25,28);3-13H,22H2,1-2H3,(H,23,24);2-12H,21H2,1H3,(H,22,24);2*1H
InChIKeyWKZDQIGPJORDFJ-UHFFFAOYSA-N
MW1770.84 g/mol
LogP15.99
Rot. Bonds26

About 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride

2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride (PubChem CID 162240361) has the molecular formula C86H82Cl2N12O18S4 and a molecular weight of 1770.84 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride
PubChem CID162240361
Molecular FormulaC86H82Cl2N12O18S4
Molecular Weight1770.84 g/mol
Exact Mass1768.41
IUPAC Name2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride
SMILESCOc1ccccc1NC(=O)c1c(N)cccc1S(=O)(=O)c1ccc(C)cc1.COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc([N+](=O)[O-])cc1.COc1ccccc1NC(=O)c1c(NC(=O)CN)cccc1S(=O)(=O)c1ccc(C)cc1.COc1ccccc1NC(=O)c1c(NC(=O)CN)cccc1Sc1ccc([N+](=O)[O-])cc1.Cl.Cl
InChIInChI=1S/C23H23N3O5S.C22H20N4O5S.C21H20N2O4S.C20H17N3O4S.2ClH/c1-15-10-12-16(13-11-15)32(29,30)20-9-5-7-18(25-21(27)14-24)22(20)23(28)26-17-6-3-4-8-19(17)31-2;1-31-18-7-3-2-5-16(18)25-22(28)21-17(24-20(27)13-23)6-4-8-19(21)32-15-11-9-14(10-12-15)26(29)30;1-14-10-12-15(13-11-14)28(25,26)19-9-5-6-16(22)20(19)21(24)23-17-7-3-4-8-18(17)27-2;1-27-17-7-3-2-6-16(17)22-20(24)19-15(21)5-4-8-18(19)28-14-11-9-13(10-12-14)23(25)26;;/h3-13H,14,24H2,1-2H3,(H,25,27)(H,26,28);2-12H,13,23H2,1H3,(H,24,27)(H,25,28);3-13H,22H2,1-2H3,(H,23,24);2-12H,21H2,1H3,(H,22,24);2*1H
InChIKeyWKZDQIGPJORDFJ-UHFFFAOYSA-N
XLogP15.99
TPSA470.16 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.84
LogP ≤ 515.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;sulfuric acid
CID 118387004
2-(carbamoylamino)-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;hydrochloride
CID 141328022
4-[3-amino-2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfanylbenzoic acid
CID 71811804
2-amino-N-(3,4-dimethoxyphenyl)-6-(4-nitrophenyl)sulfonylbenzamide
CID 164629093
N-(2-methoxyphenyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 1317590
2-amino-N-(2-methoxyphenyl)-6-pyridin-4-ylsulfanylbenzamide
CID 155516174
2-chloro-N-(2-methoxyphenyl)-5-(4-nitrophenyl)sulfanylpyrimidine-4-carboxamide
CID 134816594
[2-[[2-amino-6-(4-aminophenyl)sulfanylbenzoyl]amino]phenyl] methanesulfonate
CID 139439223
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 81420850
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride?
The IUPAC name of 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride (CID 162240361) is 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride is COc1ccccc1NC(=O)c1c(N)cccc1S(=O)(=O)c1ccc(C)cc1.COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc([N+](=O)[O-])cc1.COc1ccccc1NC(=O)c1c(NC(=O)CN)cccc1S(=O)(=O)c1ccc(C)cc1.COc1ccccc1NC(=O)c1c(NC(=O)CN)cccc1Sc1ccc([N+](=O)[O-])cc1.Cl.Cl.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride?
The InChIKey is WKZDQIGPJORDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S.C22H20N4O5S.C21H20N2O4S.C20H17N3O4S.2ClH/c1-15-10-12-16(13-11-15)32(29,30)20-9-5-7-18(25-21(27)14-24)22(20)23(28)26-17-6-3-4-8-19(17)31-2;1-31-18-7-3-2-5-16(18)25-22(28)21-17(24-20(27)13-23)6-4-8-19(21)32-15-11-9-14(10-12-15)26(29)30;1-14-10-12-15(13-11-14)28(25,26)19-9-5-6-16(22)20(19)21(24)23-17-7-3-4-8-18(17)27-2;1-27-17-7-3-2-6-16(17)22-20(24)19-15(21)5-4-8-18(19)28-14-11-9-13(10-12-14)23(25)26;;/h3-13H,14,24H2,1-2H3,(H,25,27)(H,26,28);2-12H,13,23H2,1H3,(H,24,27)(H,25,28);3-13H,22H2,1-2H3,(H,23,24);2-12H,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride?
2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride has a molecular weight of 1770.84 g/mol, XLogP of 15.99, 26 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-[(2-aminoacetyl)amino]-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-methylphenyl)sulfonylbenzamide;2-amino-N-(2-methoxyphenyl)-6-(4-nitrophenyl)sulfanylbenzamide;dihydrochloride is sourced from PubChem (CID 162240361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).