N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide

C17H20N4O5S — CID 2205372

IUPACN-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H20N4O5S/c1-11-4-9-16(26-3)15(10-11)19-17(23)20-21-27(24,25)14-7-5-13(6-8-14)18-12(2)22/h4-10,21H,1-3H3,(H,18,22)(H2,19,20,23)
InChIKeyNQNYKRCVAKVKKG-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.98
Rot. Bonds6

About N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide

N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide (PubChem CID 2205372) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
PubChem CID2205372
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H20N4O5S/c1-11-4-9-16(26-3)15(10-11)19-17(23)20-21-27(24,25)14-7-5-13(6-8-14)18-12(2)22/h4-10,21H,1-3H3,(H,18,22)(H2,19,20,23)
InChIKeyNQNYKRCVAKVKKG-UHFFFAOYSA-N
XLogP1.98
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
1-(2-methoxy-5-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]thiourea
CID 19680097
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
1-(3-chlorophenyl)-3-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]urea
CID 17052588
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704
2-(4-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21173686
dimethyl (E)-2-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]anilino]but-2-enedioate
CID 168569731

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide (CID 2205372) is N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide is COc1ccc(C)cc1NC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
The InChIKey is NQNYKRCVAKVKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-11-4-9-16(26-3)15(10-11)19-17(23)20-21-27(24,25)14-7-5-13(6-8-14)18-12(2)22/h4-10,21H,1-3H3,(H,18,22)(H2,19,20,23).
What are the key properties of N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide has a molecular weight of 392.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2205372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).