(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide

C24H31N3O4S — CID 38932274

IUPAC(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)/C=C/c1cc(C)c(C)cc1C
InChIInChI=1S/C24H31N3O4S/c1-17-14-19(3)20(15-18(17)2)6-9-24(28)25-22-16-21(7-8-23(22)31-5)32(29,30)27-12-10-26(4)11-13-27/h6-9,14-16H,10-13H2,1-5H3,(H,25,28)/b9-6+
InChIKeyCIXZOMAZASRWEV-RMKNXTFCSA-N
MW457.60 g/mol
LogP3.21
Rot. Bonds6

About (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide

(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide (PubChem CID 38932274) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
PubChem CID38932274
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)/C=C/c1cc(C)c(C)cc1C
InChIInChI=1S/C24H31N3O4S/c1-17-14-19(3)20(15-18(17)2)6-9-24(28)25-22-16-21(7-8-23(22)31-5)32(29,30)27-12-10-26(4)11-13-27/h6-9,14-16H,10-13H2,1-5H3,(H,25,28)/b9-6+
InChIKeyCIXZOMAZASRWEV-RMKNXTFCSA-N
XLogP3.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-naphthalen-1-ylprop-2-enamide
CID 41483751
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
(E)-3-(4-fluorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 30393885
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide
CID 9081738
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6089454
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24627113
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42992018
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16615053

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide (CID 38932274) is (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)/C=C/c1cc(C)c(C)cc1C.
What is the InChIKey of (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
The InChIKey is CIXZOMAZASRWEV-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17-14-19(3)20(15-18(17)2)6-9-24(28)25-22-16-21(7-8-23(22)31-5)32(29,30)27-12-10-26(4)11-13-27/h6-9,14-16H,10-13H2,1-5H3,(H,25,28)/b9-6+.
What are the key properties of (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide?
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide has a molecular weight of 457.60 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 38932274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).