(Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide

C19H15N3O3S — CID 2372285

IUPAC(Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C19H15N3O3S/c1-13-6-8-16(9-7-13)26(24,25)22-12-15(10-14(11-20)19(21)23)17-4-2-3-5-18(17)22/h2-10,12H,1H3,(H2,21,23)/b14-10-
InChIKeyLPGGXLDYODLKQP-UVTDQMKNSA-N
MW365.41 g/mol
LogP2.58
Rot. Bonds4

About (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide

(Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide (PubChem CID 2372285) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide
PubChem CID2372285
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name(Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide
SMILESCc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C19H15N3O3S/c1-13-6-8-16(9-7-13)26(24,25)22-12-15(10-14(11-20)19(21)23)17-4-2-3-5-18(17)22/h2-10,12H,1H3,(H2,21,23)/b14-10-
InChIKeyLPGGXLDYODLKQP-UVTDQMKNSA-N
XLogP2.58
TPSA105.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide
CID 4249308
(E)-3-[1-(benzenesulfonyl)indol-3-yl]-2-cyano-N-octylprop-2-enamide
CID 71546808
(Z)-2-cyano-3-[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]prop-2-enamide
CID 827847
3-[(1E,3E)-3-methylpenta-1,3-dienyl]-1-(4-methylphenyl)sulfonylindole
CID 102180391
(2S)-2-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-oxo-4-phenylbutanenitrile
CID 162417672
methyl 2-amino-2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 134818170
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610
1-(4-bromophenyl)sulfonylindole-3-carbaldehyde
CID 87179756
N,N-diethyl-1-(4-methylphenyl)sulfonylindol-3-amine
CID 177498842
(E)-2-cyano-3-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]prop-2-enamide
CID 827844
methyl (2R,3S)-2,3-dihydroxy-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoate
CID 11153480

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide (CID 2372285) is (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide is Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(N)=O)c3ccccc32)cc1.
What is the InChIKey of (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide?
The InChIKey is LPGGXLDYODLKQP-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-13-6-8-16(9-7-13)26(24,25)22-12-15(10-14(11-20)19(21)23)17-4-2-3-5-18(17)22/h2-10,12H,1H3,(H2,21,23)/b14-10-.
What are the key properties of (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide?
(Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide has a molecular weight of 365.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide is sourced from PubChem (CID 2372285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).