N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide

C15H22N4O3S — CID 163987430

IUPACN-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/C(N)=N/C2CCCCC2)cc1
InChIInChI=1S/C15H22N4O3S/c1-11(20)17-13-7-9-14(10-8-13)23(21,22)19-15(16)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,20)(H3,16,18,19)
InChIKeyTXOZOSNONGVLBY-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.57
Rot. Bonds4

About N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide

N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide (PubChem CID 163987430) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide
PubChem CID163987430
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/C(N)=N/C2CCCCC2)cc1
InChIInChI=1S/C15H22N4O3S/c1-11(20)17-13-7-9-14(10-8-13)23(21,22)19-15(16)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,20)(H3,16,18,19)
InChIKeyTXOZOSNONGVLBY-UHFFFAOYSA-N
XLogP1.57
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide 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-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine
CID 11810448
2-cyclohexyl-1-methylsulfonylguanidine
CID 130901012
methyl N-(4-aminophenyl)sulfonyl-N'-cyclohexylcarbamimidothioate
CID 10381802
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide (CID 163987430) is N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/C(N)=N/C2CCCCC2)cc1.
What is the InChIKey of N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide?
The InChIKey is TXOZOSNONGVLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-11(20)17-13-7-9-14(10-8-13)23(21,22)19-15(16)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,17,20)(H3,16,18,19).
What are the key properties of N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide?
N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 163987430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).