2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide

C21H19N3O3S2 — CID 1296910

IUPAC2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S2/c25-20(15-16-7-3-1-4-8-16)23-21(28)22-17-11-13-19(14-12-17)29(26,27)24-18-9-5-2-6-10-18/h1-14,24H,15H2,(H2,22,23,25,28)
InChIKeyXNJIDRMJGPGSME-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.54
Rot. Bonds6

About 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide

2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide (PubChem CID 1296910) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
PubChem CID1296910
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S2/c25-20(15-16-7-3-1-4-8-16)23-21(28)22-17-11-13-19(14-12-17)29(26,27)24-18-9-5-2-6-10-18/h1-14,24H,15H2,(H2,22,23,25,28)
InChIKeyXNJIDRMJGPGSME-UHFFFAOYSA-N
XLogP3.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3308515
N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3306109
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 916513
4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
2-(4-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 4936631
2-iodo-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5177255
2-(4-chlorophenyl)-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 4936881
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4934132
1-[4-(benzylsulfamoyl)phenyl]-3-phenylthiourea
CID 4928890
N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177606
3-chloro-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4940381
3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 5181707

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide (CID 1296910) is 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide is O=C(Cc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide?
The InChIKey is XNJIDRMJGPGSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c25-20(15-16-7-3-1-4-8-16)23-21(28)22-17-11-13-19(14-12-17)29(26,27)24-18-9-5-2-6-10-18/h1-14,24H,15H2,(H2,22,23,25,28).
What are the key properties of 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide?
2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 1296910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).