5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide

C62H58N8O7S2 — CID 143742683

IUPAC5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide
SMILESC/C=C/c1ccc(NC(=O)/C=C/c2ccccc2)cc1.Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)O)c(S)c1.Nc1ccc(N=O)cc1.Nc1ccc(NC(=O)/C=C/c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C24H21N3O2.C18H17NO.C14H14N2O3S2.C6H6N2O/c25-20-10-14-22(15-11-20)27-24(29)17-9-19-6-12-21(13-7-19)26-23(28)16-8-18-4-2-1-3-5-18;1-2-6-15-9-12-17(13-10-15)19-18(20)14-11-16-7-4-3-5-8-16;15-11-5-3-9(13(20)7-11)1-2-10-4-6-12(16)8-14(10)21(17,18)19;7-5-1-3-6(8-9)4-2-5/h1-17H,25H2,(H,26,28)(H,27,29);2-14H,1H3,(H,19,20);1-8,20H,15-16H2,(H,17,18,19);1-4H,7H2/b16-8+,17-9+;6-2+,14-11+;2-1+;
InChIKeyQLTYRNLUKVNDKO-KFGGXQEXSA-N
MW1091.33 g/mol
LogP13.17
Rot. Bonds14

About 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide

5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide (PubChem CID 143742683) has the molecular formula C62H58N8O7S2 and a molecular weight of 1091.33 g/mol. Its IUPAC name is 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide
PubChem CID143742683
Molecular FormulaC62H58N8O7S2
Molecular Weight1091.33 g/mol
Exact Mass1090.39
IUPAC Name5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide
SMILESC/C=C/c1ccc(NC(=O)/C=C/c2ccccc2)cc1.Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)O)c(S)c1.Nc1ccc(N=O)cc1.Nc1ccc(NC(=O)/C=C/c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C24H21N3O2.C18H17NO.C14H14N2O3S2.C6H6N2O/c25-20-10-14-22(15-11-20)27-24(29)17-9-19-6-12-21(13-7-19)26-23(28)16-8-18-4-2-1-3-5-18;1-2-6-15-9-12-17(13-10-15)19-18(20)14-11-16-7-4-3-5-8-16;15-11-5-3-9(13(20)7-11)1-2-10-4-6-12(16)8-14(10)21(17,18)19;7-5-1-3-6(8-9)4-2-5/h1-17H,25H2,(H,26,28)(H,27,29);2-14H,1H3,(H,19,20);1-8,20H,15-16H2,(H,17,18,19);1-4H,7H2/b16-8+,17-9+;6-2+,14-11+;2-1+;
InChIKeyQLTYRNLUKVNDKO-KFGGXQEXSA-N
XLogP13.17
TPSA275.18 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001091.33
LogP ≤ 513.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

5-amino-2-[(E)-2-(4-benzamidophenyl)ethenyl]benzenesulfonic acid
CID 19734786
5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid
CID 172811149
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
2-[(E)-2-(4-aminophenyl)ethenyl]benzenesulfonic acid
CID 11448748
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide
CID 43600104
sodium;hydride;5-(phenylcarbamoylamino)-2-[2-[4-(phenylcarbamoylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 174159816
(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide
CID 59432846
2-[[(E)-3-phenylprop-2-enoyl]amino]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 153235539
(E)-3-(4-aminophenyl)-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 84553975

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide (CID 143742683) is 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide is C/C=C/c1ccc(NC(=O)/C=C/c2ccccc2)cc1.Nc1ccc(/C=C/c2ccc(N)cc2S(=O)(=O)O)c(S)c1.Nc1ccc(N=O)cc1.Nc1ccc(NC(=O)/C=C/c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is QLTYRNLUKVNDKO-KFGGXQEXSA-N. The full InChI is InChI=1S/C24H21N3O2.C18H17NO.C14H14N2O3S2.C6H6N2O/c25-20-10-14-22(15-11-20)27-24(29)17-9-19-6-12-21(13-7-19)26-23(28)16-8-18-4-2-1-3-5-18;1-2-6-15-9-12-17(13-10-15)19-18(20)14-11-16-7-4-3-5-8-16;15-11-5-3-9(13(20)7-11)1-2-10-4-6-12(16)8-14(10)21(17,18)19;7-5-1-3-6(8-9)4-2-5/h1-17H,25H2,(H,26,28)(H,27,29);2-14H,1H3,(H,19,20);1-8,20H,15-16H2,(H,17,18,19);1-4H,7H2/b16-8+,17-9+;6-2+,14-11+;2-1+;.
What are the key properties of 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide?
5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 1091.33 g/mol, XLogP of 13.17, 14 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(E)-2-(4-amino-2-sulfanylphenyl)ethenyl]benzenesulfonic acid;(E)-N-[4-[(E)-3-(4-aminoanilino)-3-oxoprop-1-enyl]phenyl]-3-phenylprop-2-enamide;4-nitrosoaniline;(E)-3-phenyl-N-[4-[(E)-prop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 143742683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).