2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

C22H29N3O6S — CID 18571741

IUPAC2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-29-17-4-7-19(8-5-17)32(27,28)25-14-12-24(13-15-25)11-10-23-22(26)20-9-6-18(30-2)16-21(20)31-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyWDOSWWGLJGYQRX-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.45
Rot. Bonds9

About 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (PubChem CID 18571741) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
PubChem CID18571741
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O6S/c1-29-17-4-7-19(8-5-17)32(27,28)25-14-12-24(13-15-25)11-10-23-22(26)20-9-6-18(30-2)16-21(20)31-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyWDOSWWGLJGYQRX-UHFFFAOYSA-N
XLogP1.45
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide 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

2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
3,4-diethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571748
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 18571746
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 18571768
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 29195731
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
CID 16881045

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (CID 18571741) is 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3OC)CC2)cc1.
What is the InChIKey of 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The InChIKey is WDOSWWGLJGYQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-29-17-4-7-19(8-5-17)32(27,28)25-14-12-24(13-15-25)11-10-23-22(26)20-9-6-18(30-2)16-21(20)31-3/h4-9,16H,10-15H2,1-3H3,(H,23,26).
What are the key properties of 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 18571741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).