4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide

C16H24N2OS — CID 18823141

IUPAC4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide
SMILESCC(C)CNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2OS/c1-11(2)10-17-15(20)18-14(19)12-6-8-13(9-7-12)16(3,4)5/h6-9,11H,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyADQOJHBVZAUDIB-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.24
Rot. Bonds3

About 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide

4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide (PubChem CID 18823141) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide
PubChem CID18823141
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide
SMILESCC(C)CNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24N2OS/c1-11(2)10-17-15(20)18-14(19)12-6-8-13(9-7-12)16(3,4)5/h6-9,11H,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyADQOJHBVZAUDIB-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide
CID 17177805
4-tert-butyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1017523
4-tert-butyl-N-[[(2E)-2-ethenyl-3-methylpenta-2,4-dienyl]carbamothioyl]benzamide
CID 88874513
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
4-tert-butyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]benzamide
CID 54776796
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
4-tert-butyl-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17231496
4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide (CID 18823141) is 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide is CC(C)CNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide?
The InChIKey is ADQOJHBVZAUDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(2)10-17-15(20)18-14(19)12-6-8-13(9-7-12)16(3,4)5/h6-9,11H,10H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide?
4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methylpropylcarbamothioyl)benzamide is sourced from PubChem (CID 18823141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).