N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide

C19H23N3O3S2 — CID 17160307

IUPACN-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H23N3O3S2/c1-4-14(3)22-27(24,25)16-11-9-15(10-12-16)20-19(26)21-18(23)17-8-6-5-7-13(17)2/h5-12,14,22H,4H2,1-3H3,(H2,20,21,23,26)
InChIKeyPZPXWZAFMKKNQQ-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.20
Rot. Bonds6

About N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide

N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide (PubChem CID 17160307) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide
PubChem CID17160307
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H23N3O3S2/c1-4-14(3)22-27(24,25)16-11-9-15(10-12-16)20-19(26)21-18(23)17-8-6-5-7-13(17)2/h5-12,14,22H,4H2,1-3H3,(H2,20,21,23,26)
InChIKeyPZPXWZAFMKKNQQ-UHFFFAOYSA-N
XLogP3.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.20
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-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
2-methyl-N-[(4-methylsulfonylphenyl)carbamothioyl]benzamide
CID 89089793
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 17160323
2-chloro-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4924612
N-(butan-2-ylcarbamothioyl)-2-methylbenzamide
CID 17137466
5-bromo-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17160368
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
CID 3887794
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 43877406
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-butoxybenzamide
CID 17160335
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
2-methyl-N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide
CID 17251758

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide (CID 17160307) is N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide is CCC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide?
The InChIKey is PZPXWZAFMKKNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-4-14(3)22-27(24,25)16-11-9-15(10-12-16)20-19(26)21-18(23)17-8-6-5-7-13(17)2/h5-12,14,22H,4H2,1-3H3,(H2,20,21,23,26).
What are the key properties of N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide?
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide has a molecular weight of 405.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide is sourced from PubChem (CID 17160307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).