(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C23H25N3O7S — CID 6216103

IUPAC(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1OCC#N
InChIInChI=1S/C23H25N3O7S/c1-30-20-7-5-18(16-22(20)34(28,29)26-10-13-32-14-11-26)25-23(27)8-4-17-3-6-19(33-12-9-24)21(15-17)31-2/h3-8,15-16H,10-14H2,1-2H3,(H,25,27)/b8-4+
InChIKeySZWDERRTLSIFFU-XBXARRHUSA-N
MW487.53 g/mol
LogP2.28
Rot. Bonds9

About (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6216103) has the molecular formula C23H25N3O7S and a molecular weight of 487.53 g/mol. Its IUPAC name is (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID6216103
Molecular FormulaC23H25N3O7S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC Name(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1OCC#N
InChIInChI=1S/C23H25N3O7S/c1-30-20-7-5-18(16-22(20)34(28,29)26-10-13-32-14-11-26)25-23(27)8-4-17-3-6-19(33-12-9-24)21(15-17)31-2/h3-8,15-16H,10-14H2,1-2H3,(H,25,27)/b8-4+
InChIKeySZWDERRTLSIFFU-XBXARRHUSA-N
XLogP2.28
TPSA127.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
[2-Methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-acetamidobenzenesulfonate
CID 1796843
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 4804187
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 4835037
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 5977527
(E)-3-(4-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6160149
N-(7-Oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 646239
(E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070928
(2E)-3-(4-methoxyphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1108165
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 2117898
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 2390823

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 6216103) is (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1OCC#N.
What is the InChIKey of (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is SZWDERRTLSIFFU-XBXARRHUSA-N. The full InChI is InChI=1S/C23H25N3O7S/c1-30-20-7-5-18(16-22(20)34(28,29)26-10-13-32-14-11-26)25-23(27)8-4-17-3-6-19(33-12-9-24)21(15-17)31-2/h3-8,15-16H,10-14H2,1-2H3,(H,25,27)/b8-4+.
What are the key properties of (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 487.53 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6216103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).