N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide

C22H27N3O4S — CID 6461975

IUPACN-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O
InChIInChI=1S/C22H27N3O4S/c1-18(26)23-21-17-20(10-11-22(21)29-2)30(27,28)25-15-13-24(14-16-25)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3,(H,23,26)/b9-6+
InChIKeyPQTRKVLNFSZBTM-RMKNXTFCSA-N
MW429.54 g/mol
LogP2.67
Rot. Bonds7

About N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 6461975) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID6461975
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O
InChIInChI=1S/C22H27N3O4S/c1-18(26)23-21-17-20(10-11-22(21)29-2)30(27,28)25-15-13-24(14-16-25)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3,(H,23,26)/b9-6+
InChIKeyPQTRKVLNFSZBTM-RMKNXTFCSA-N
XLogP2.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
6-Iodo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,3-dihydroindole
CID 10413595
5-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 10505579
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 118464995
4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide
CID 118464998
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465011
N-[2-(4-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465023
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465171
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 6461975) is N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide is COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is PQTRKVLNFSZBTM-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-18(26)23-21-17-20(10-11-22(21)29-2)30(27,28)25-15-13-24(14-16-25)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3,(H,23,26)/b9-6+.
What are the key properties of N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 6461975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).