N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide

C22H29N3O3S — CID 56512355

IUPACN-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c23-29(27,28)21-11-9-18(10-12-21)15-22(26)24-16-19-5-7-20(8-6-19)17-25-13-3-1-2-4-14-25/h5-12H,1-4,13-17H2,(H,24,26)(H2,23,27,28)
InChIKeyBFESFWXCNCUQCN-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.57
Rot. Bonds7

About N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide

N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56512355) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56512355
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c23-29(27,28)21-11-9-18(10-12-21)15-22(26)24-16-19-5-7-20(8-6-19)17-25-13-3-1-2-4-14-25/h5-12H,1-4,13-17H2,(H,24,26)(H2,23,27,28)
InChIKeyBFESFWXCNCUQCN-UHFFFAOYSA-N
XLogP2.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 41438320
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 30739658
2-methyl-1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111410952
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546473
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935231
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 8545586
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide (CID 56512355) is N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CN3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is BFESFWXCNCUQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c23-29(27,28)21-11-9-18(10-12-21)15-22(26)24-16-19-5-7-20(8-6-19)17-25-13-3-1-2-4-14-25/h5-12H,1-4,13-17H2,(H,24,26)(H2,23,27,28).
What are the key properties of N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56512355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).