N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide

C19H25N3O6S2 — CID 55894651

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O6S2/c1-14(15-6-10-17(11-7-15)29(24,25)21(2)3)20-19(23)16-8-12-18(13-9-16)30(26,27)22(4)28-5/h6-14H,1-5H3,(H,20,23)
InChIKeySRZYBXRTLKUJLC-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.61
Rot. Bonds8

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55894651) has the molecular formula C19H25N3O6S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55894651
Molecular FormulaC19H25N3O6S2
Molecular Weight455.56 g/mol
Exact Mass455.12
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O6S2/c1-14(15-6-10-17(11-7-15)29(24,25)21(2)3)20-19(23)16-8-12-18(13-9-16)30(26,27)22(4)28-5/h6-14H,1-5H3,(H,20,23)
InChIKeySRZYBXRTLKUJLC-UHFFFAOYSA-N
XLogP1.61
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]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-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 9162366
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048728
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217976
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[cyclopropyl-(4-methylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51296386
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide (CID 55894651) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is SRZYBXRTLKUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S2/c1-14(15-6-10-17(11-7-15)29(24,25)21(2)3)20-19(23)16-8-12-18(13-9-16)30(26,27)22(4)28-5/h6-14H,1-5H3,(H,20,23).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55894651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).