N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide

C16H24N2OS — CID 175563552

IUPACN-carbamothioyl-2,3-bis(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(=O)NC(N)=S)c1CC(C)C
InChIInChI=1S/C16H24N2OS/c1-10(2)8-12-6-5-7-13(14(12)9-11(3)4)15(19)18-16(17)20/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18,19,20)
InChIKeyBNSSTUKTTBFJGD-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.06
Rot. Bonds5

About N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide

N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide (PubChem CID 175563552) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-carbamothioyl-2,3-bis(2-methylpropyl)benzamide
PubChem CID175563552
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-carbamothioyl-2,3-bis(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(=O)NC(N)=S)c1CC(C)C
InChIInChI=1S/C16H24N2OS/c1-10(2)8-12-6-5-7-13(14(12)9-11(3)4)15(19)18-16(17)20/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18,19,20)
InChIKeyBNSSTUKTTBFJGD-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.06
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-carbamothioyl-2-chlorobenzamide
CID 3909253
[2,3-bis(2-methylpropyl)benzoyl]-dimethyl-phenoxyazanium
CID 167430598
[2,3-bis(2-methylpropyl)benzoyl]-dimethyl-phenoxyazanium chloride
CID 167430597
methyl 2-hydroxy-3-(2-methylpropyl)benzoate
CID 16754220
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
3,4-bis(2-methylpropyl)phthalate
CID 22174396
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-(2-methylpropyl)benzenecarboperoxoic acid
CID 87614566
2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzamide
CID 78814473
2-[(carbamothioylamino)carbamoyl]benzamide
CID 15536924
N-carbamothioyl-2-naphthalen-1-ylacetamide
CID 150600565
1-isothiocyanato-2,3-bis(2-methylpropyl)benzene
CID 122700738

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide?
The IUPAC name of N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide (CID 175563552) is N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide.
What is the SMILES notation for N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide?
The canonical SMILES for N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide is CC(C)Cc1cccc(C(=O)NC(N)=S)c1CC(C)C.
What is the InChIKey of N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide?
The InChIKey is BNSSTUKTTBFJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-10(2)8-12-6-5-7-13(14(12)9-11(3)4)15(19)18-16(17)20/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18,19,20).
What are the key properties of N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide?
N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-2,3-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 175563552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).