N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide

C18H20N4O4S — CID 10293631

IUPACN-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(/C(N)=N/O)cc3)c2)CC1
InChIInChI=1S/C18H20N4O4S/c1-18(9-10-18)17(23)20-13-3-2-4-14(11-13)22-27(25,26)15-7-5-12(6-8-15)16(19)21-24/h2-8,11,22,24H,9-10H2,1H3,(H2,19,21)(H,20,23)
InChIKeyMNMRSZIXNJOIDQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.32
Rot. Bonds6

About N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide

N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 10293631) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID10293631
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(/C(N)=N/O)cc3)c2)CC1
InChIInChI=1S/C18H20N4O4S/c1-18(9-10-18)17(23)20-13-3-2-4-14(11-13)22-27(25,26)15-7-5-12(6-8-15)16(19)21-24/h2-8,11,22,24H,9-10H2,1H3,(H2,19,21)(H,20,23)
InChIKeyMNMRSZIXNJOIDQ-UHFFFAOYSA-N
XLogP2.32
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide 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'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
N-[3-[[4-[5-(5-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21060751
N-[3-[[4-[5-(1-amino-4-methylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061380
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119282587
N-[3-[[4-[5-(1,5-diaminopentyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 21061350
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 3263192
1-methyl-N-[3-[[4-[5-[(1S)-3-methyl-1-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 58714481
N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylthiolane-2-carboxamide
CID 81452416
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
[5-azaniumyl-1-[3-[4-[[3-[(1-methylcyclopropanecarbonyl)amino]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]pentyl]azanium
CID 21061349
N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide
CID 87540671

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide (CID 10293631) is N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(/C(N)=N/O)cc3)c2)CC1.
What is the InChIKey of N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is MNMRSZIXNJOIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-18(9-10-18)17(23)20-13-3-2-4-14(11-13)22-27(25,26)15-7-5-12(6-8-15)16(19)21-24/h2-8,11,22,24H,9-10H2,1H3,(H2,19,21)(H,20,23).
What are the key properties of N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide?
N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 10293631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).