(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide

C21H18ClN5O4S — CID 108826633

IUPAC(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H18ClN5O4S/c22-18-6-5-17(32(29,30)27-7-9-31-10-8-27)11-20(18)25-14-16(13-24)21(28)26-19-4-2-1-3-15(19)12-23/h1-6,11,14,25H,7-10H2,(H,26,28)/b16-14-
InChIKeyUYXOYBMEHJULSK-PEZBUJJGSA-N
MW471.93 g/mol
LogP2.69
Rot. Bonds6

About (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide

(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide (PubChem CID 108826633) has the molecular formula C21H18ClN5O4S and a molecular weight of 471.93 g/mol. Its IUPAC name is (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide
PubChem CID108826633
Molecular FormulaC21H18ClN5O4S
Molecular Weight471.93 g/mol
Exact Mass471.08
IUPAC Name(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H18ClN5O4S/c22-18-6-5-17(32(29,30)27-7-9-31-10-8-27)11-20(18)25-14-16(13-24)21(28)26-19-4-2-1-3-15(19)12-23/h1-6,11,14,25H,7-10H2,(H,26,28)/b16-14-
InChIKeyUYXOYBMEHJULSK-PEZBUJJGSA-N
XLogP2.69
TPSA135.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.93
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824396
(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851152
(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839644
(Z)-3-(2-chloro-5-nitroanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide
CID 108826590
(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861164
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
(Z)-N-acetyl-N-(4-aminophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyanoprop-2-enamide
CID 108818578
(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 108847795
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520203
(Z)-3-(2-chloro-5-nitroanilino)-2-cyano-N-(2-nitrophenyl)prop-2-enamide
CID 108816524
ethyl (E)-2-cyano-3-(2-hydroxy-5-morpholin-4-ylsulfonylanilino)prop-2-enoate
CID 8812538
(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612928

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide (CID 108826633) is (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide is N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
The InChIKey is UYXOYBMEHJULSK-PEZBUJJGSA-N. The full InChI is InChI=1S/C21H18ClN5O4S/c22-18-6-5-17(32(29,30)27-7-9-31-10-8-27)11-20(18)25-14-16(13-24)21(28)26-19-4-2-1-3-15(19)12-23/h1-6,11,14,25H,7-10H2,(H,26,28)/b16-14-.
What are the key properties of (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide?
(Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide has a molecular weight of 471.93 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyano-N-(2-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 108826633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).