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

C10H14N4O3S2 — CID 65214119

IUPACN-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NNC(N)=S)cc1
InChIInChI=1S/C10H14N4O3S2/c1-7(15)12-6-8-2-4-9(5-3-8)19(16,17)14-13-10(11)18/h2-5,14H,6H2,1H3,(H,12,15)(H3,11,13,18)
InChIKeyHTJSWTGNSUYXNH-UHFFFAOYSA-N
MW302.38 g/mol
LogP-0.65
Rot. Bonds5

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

N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 65214119) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide
PubChem CID65214119
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC NameN-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NNC(N)=S)cc1
InChIInChI=1S/C10H14N4O3S2/c1-7(15)12-6-8-2-4-9(5-3-8)19(16,17)14-13-10(11)18/h2-5,14H,6H2,1H3,(H,12,15)(H3,11,13,18)
InChIKeyHTJSWTGNSUYXNH-UHFFFAOYSA-N
XLogP-0.65
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-chlorophenyl)methylcarbamothioylamino]sulfamoyl]phenyl]acetamide
CID 2207131
N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide
CID 63730927
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]butanoic acid
CID 43386785
[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
N-[(4-isocyanatosulfonylphenyl)methyl]acetamide
CID 114770569
N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
CID 51699077
N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 35933784
1-amino-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 115192674
4-(acetamidomethyl)benzoate
CID 4573914
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide (CID 65214119) is N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NNC(N)=S)cc1.
What is the InChIKey of N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is HTJSWTGNSUYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-7(15)12-6-8-2-4-9(5-3-8)19(16,17)14-13-10(11)18/h2-5,14H,6H2,1H3,(H,12,15)(H3,11,13,18).
What are the key properties of N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 65214119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).