N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide

C22H30N4O5S2 — CID 3236967

IUPACN-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(\CN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N4O5S2/c1-18-3-7-20(8-4-18)32(27,28)24-12-11-23-22(17-26-13-15-31-16-14-26)25-33(29,30)21-9-5-19(2)6-10-21/h3-10,24H,11-17H2,1-2H3,(H,23,25)
InChIKeyWTYBIHYPQUXKMO-UHFFFAOYSA-N
MW494.64 g/mol
LogP1.29
Rot. Bonds9

About N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide

N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide (PubChem CID 3236967) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide
PubChem CID3236967
Molecular FormulaC22H30N4O5S2
Molecular Weight494.64 g/mol
Exact Mass494.17
IUPAC NameN-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide
SMILESCc1ccc(S(=O)(=O)NCC/N=C(\CN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H30N4O5S2/c1-18-3-7-20(8-4-18)32(27,28)24-12-11-23-22(17-26-13-15-31-16-14-26)25-33(29,30)21-9-5-19(2)6-10-21/h3-10,24H,11-17H2,1-2H3,(H,23,25)
InChIKeyWTYBIHYPQUXKMO-UHFFFAOYSA-N
XLogP1.29
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide (CID 3236967) is N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide is Cc1ccc(S(=O)(=O)NCC/N=C(\CN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide?
The InChIKey is WTYBIHYPQUXKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-18-3-7-20(8-4-18)32(27,28)24-12-11-23-22(17-26-13-15-31-16-14-26)25-33(29,30)21-9-5-19(2)6-10-21/h3-10,24H,11-17H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide?
N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide has a molecular weight of 494.64 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-morpholin-4-ylethanimidamide is sourced from PubChem (CID 3236967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).