4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide

C25H34N4O4S — CID 16599312

IUPAC4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3CCN(S(=O)(=O)N4CCCCCC4)CC3)cc2)cc1
InChIInChI=1S/C25H34N4O4S/c1-33-24-12-10-23(11-13-24)26-25(30)22-8-6-21(7-9-22)20-27-16-18-29(19-17-27)34(31,32)28-14-4-2-3-5-15-28/h6-13H,2-5,14-20H2,1H3,(H,26,30)
InChIKeyVSBNSEPWIYLGAH-UHFFFAOYSA-N
MW486.64 g/mol
LogP3.19
Rot. Bonds7

About 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide

4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 16599312) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide
PubChem CID16599312
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3CCN(S(=O)(=O)N4CCCCCC4)CC3)cc2)cc1
InChIInChI=1S/C25H34N4O4S/c1-33-24-12-10-23(11-13-24)26-25(30)22-8-6-21(7-9-22)20-27-16-18-29(19-17-27)34(31,32)28-14-4-2-3-5-15-28/h6-13H,2-5,14-20H2,1H3,(H,26,30)
InChIKeyVSBNSEPWIYLGAH-UHFFFAOYSA-N
XLogP3.19
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)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

N-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34684171
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71903002
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
N-(4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919706
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 3310069
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide (CID 16599312) is 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(CN3CCN(S(=O)(=O)N4CCCCCC4)CC3)cc2)cc1.
What is the InChIKey of 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is VSBNSEPWIYLGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-33-24-12-10-23(11-13-24)26-25(30)22-8-6-21(7-9-22)20-27-16-18-29(19-17-27)34(31,32)28-14-4-2-3-5-15-28/h6-13H,2-5,14-20H2,1H3,(H,26,30).
What are the key properties of 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide?
4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 486.64 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 16599312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).