7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide

C26H32N6O5S2 — CID 67597865

IUPAC7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CN(S(C)(=O)=O)S(=O)(=O)Nc3ccc(OC4CCN(/C(C)=N/[H])CC4)cc3)cc2c1
InChIInChI=1S/C26H32N6O5S2/c1-18(27)31-13-11-25(12-14-31)37-24-9-7-23(8-10-24)30-39(35,36)32(38(2,33)34)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27,30H,11-14,17H2,1-2H3,(H3,28,29)/b27-18+
InChIKeyRTLZQQGTQGEVPN-OVVQPSECSA-N
MW572.71 g/mol
LogP3.08
Rot. Bonds9

About 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide

7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide (PubChem CID 67597865) has the molecular formula C26H32N6O5S2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide
PubChem CID67597865
Molecular FormulaC26H32N6O5S2
Molecular Weight572.71 g/mol
Exact Mass572.19
IUPAC Name7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CN(S(C)(=O)=O)S(=O)(=O)Nc3ccc(OC4CCN(/C(C)=N/[H])CC4)cc3)cc2c1
InChIInChI=1S/C26H32N6O5S2/c1-18(27)31-13-11-25(12-14-31)37-24-9-7-23(8-10-24)30-39(35,36)32(38(2,33)34)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27,30H,11-14,17H2,1-2H3,(H3,28,29)/b27-18+
InChIKeyRTLZQQGTQGEVPN-OVVQPSECSA-N
XLogP3.08
TPSA169.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.71
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide 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

7-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-ethylsulfonylanilino]methyl]naphthalene-2-carboximidamide
CID 15392280
7-[[N-butylsulfonyl-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]methyl]naphthalene-2-carboximidamide
CID 15392310
N-[(7-carbamimidoylnaphthalen-2-yl)methyl]-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-3-methoxybenzamide
CID 15392272
2-[(7-carbamimidoylnaphthalene-2-carbonyl)-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl]acetic acid
CID 67597449
1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-1-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]-3-ethylurea
CID 15392363
2-[N-(7-carbamimidoylnaphthalene-2-carbonyl)-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]acetic acid
CID 139881441
[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl] 3-(7-carbamimidoylnaphthalen-2-yl)propanoate
CID 67593451
3-[N-(7-carbamimidoylnaphthalene-2-carbonyl)-4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]propanoic acid;dihydrochloride
CID 139881447
7-[2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propyl]naphthalene-2-carboximidamide
CID 22944153
7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-propan-2-ylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide
CID 10345176
N-[[7-[N'-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbamimidoyl]naphthalen-2-yl]methyl]-2-[methyl(sulfamoyl)amino]acetamide
CID 67598309
ethyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]propanoate
CID 85082286

Frequently Asked Questions

What is the IUPAC name of 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide (CID 67597865) is 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2ccc(CN(S(C)(=O)=O)S(=O)(=O)Nc3ccc(OC4CCN(/C(C)=N/[H])CC4)cc3)cc2c1.
What is the InChIKey of 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide?
The InChIKey is RTLZQQGTQGEVPN-OVVQPSECSA-N. The full InChI is InChI=1S/C26H32N6O5S2/c1-18(27)31-13-11-25(12-14-31)37-24-9-7-23(8-10-24)30-39(35,36)32(38(2,33)34)17-19-3-4-20-5-6-21(26(28)29)16-22(20)15-19/h3-10,15-16,25,27,30H,11-14,17H2,1-2H3,(H3,28,29)/b27-18+.
What are the key properties of 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide?
7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide has a molecular weight of 572.71 g/mol, XLogP of 3.08, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfamoyl-methylsulfonylamino]methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 67597865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).