3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide

C15H20N2OS — CID 55000146

IUPAC3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H20N2OS/c1-10(2)17(9-11-6-7-11)15(18)13-5-3-4-12(8-13)14(16)19/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,16,19)
InChIKeyLVEFTJZTOIPRIF-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.58
Rot. Bonds5

About 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide

3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide (PubChem CID 55000146) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
PubChem CID55000146
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C15H20N2OS/c1-10(2)17(9-11-6-7-11)15(18)13-5-3-4-12(8-13)14(16)19/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,16,19)
InChIKeyLVEFTJZTOIPRIF-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
4-amino-N-(cyclopropylmethyl)-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 62185001
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429310
2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
CID 62662646
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide (CID 55000146) is 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is LVEFTJZTOIPRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)17(9-11-6-7-11)15(18)13-5-3-4-12(8-13)14(16)19/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,16,19).
What are the key properties of 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 276.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 55000146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).