(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C27H27BrN2O6S — CID 11838077

IUPAC(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C27H27BrN2O6S/c1-34-26-11-5-20(17-21(26)19-36-24-9-7-22(28)8-10-24)6-12-27(31)29-23-3-2-4-25(18-23)37(32,33)30-13-15-35-16-14-30/h2-12,17-18H,13-16,19H2,1H3,(H,29,31)/b12-6-
InChIKeyWVEDPLCNIAJQNU-SDQBBNPISA-N
MW587.49 g/mol
LogP4.71
Rot. Bonds9

About (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 11838077) has the molecular formula C27H27BrN2O6S and a molecular weight of 587.49 g/mol. Its IUPAC name is (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID11838077
Molecular FormulaC27H27BrN2O6S
Molecular Weight587.49 g/mol
Exact Mass586.08
IUPAC Name(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C27H27BrN2O6S/c1-34-26-11-5-20(17-21(26)19-36-24-9-7-22(28)8-10-24)6-12-27(31)29-23-3-2-4-25(18-23)37(32,33)30-13-15-35-16-14-30/h2-12,17-18H,13-16,19H2,1H3,(H,29,31)/b12-6-
InChIKeyWVEDPLCNIAJQNU-SDQBBNPISA-N
XLogP4.71
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55342789
N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3361660
(E)-N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2704846
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 71904110
(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 11838390
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2330677
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 26848715
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6089454
N-(3,5-dimethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71903951
(E)-3-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 9403990
(E)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 11838077) is (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is COc1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1COc1ccc(Br)cc1.
What is the InChIKey of (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is WVEDPLCNIAJQNU-SDQBBNPISA-N. The full InChI is InChI=1S/C27H27BrN2O6S/c1-34-26-11-5-20(17-21(26)19-36-24-9-7-22(28)8-10-24)6-12-27(31)29-23-3-2-4-25(18-23)37(32,33)30-13-15-35-16-14-30/h2-12,17-18H,13-16,19H2,1H3,(H,29,31)/b12-6-.
What are the key properties of (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 587.49 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 11838077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).