N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide

C16H18N4O4S2 — CID 2204943

IUPACN-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(=S)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H18N4O4S2/c1-11(21)17-12-5-9-15(10-6-12)26(22,23)20-19-16(25)18-13-3-7-14(24-2)8-4-13/h3-10,20H,1-2H3,(H,17,21)(H2,18,19,25)
InChIKeyDSPJOVJPXJFQTL-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.83
Rot. Bonds6

About N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide

N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide (PubChem CID 2204943) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide
PubChem CID2204943
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC NameN-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NC(=S)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H18N4O4S2/c1-11(21)17-12-5-9-15(10-6-12)26(22,23)20-19-16(25)18-13-3-7-14(24-2)8-4-13/h3-10,20H,1-2H3,(H,17,21)(H2,18,19,25)
InChIKeyDSPJOVJPXJFQTL-UHFFFAOYSA-N
XLogP1.83
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
N-[4-[(3-methoxypropylcarbamothioylamino)sulfamoyl]phenyl]acetamide
CID 2205179
1-(benzenesulfonamido)-3-(4-phenoxyphenyl)thiourea
CID 134097455
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
4-methoxy-N-[4-(phenylcarbamothioylamino)phenyl]sulfonylbenzamide
CID 22921499
N-[4-[[(4-chlorophenyl)methylcarbamothioylamino]sulfamoyl]phenyl]acetamide
CID 2207131
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
N-[4-[[2-(4-methoxyphenyl)-2-methylpropyl]sulfamoyl]phenyl]acetamide
CID 113090514
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087
1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea
CID 47425131
N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
CID 2205372

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide (CID 2204943) is N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide is COc1ccc(NC(=S)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide?
The InChIKey is DSPJOVJPXJFQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-11(21)17-12-5-9-15(10-6-12)26(22,23)20-19-16(25)18-13-3-7-14(24-2)8-4-13/h3-10,20H,1-2H3,(H,17,21)(H2,18,19,25).
What are the key properties of N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2204943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).