3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide

C16H24N2OS — CID 61437810

IUPAC3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H24N2OS/c1-4-12(5-2)11-18(6-3)16(19)14-9-7-8-13(10-14)15(17)20/h7-10,12H,4-6,11H2,1-3H3,(H2,17,20)
InChIKeyOEEOUBDVNNUKJO-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.22
Rot. Bonds7

About 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide

3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide (PubChem CID 61437810) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide
PubChem CID61437810
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C16H24N2OS/c1-4-12(5-2)11-18(6-3)16(19)14-9-7-8-13(10-14)15(17)20/h7-10,12H,4-6,11H2,1-3H3,(H2,17,20)
InChIKeyOEEOUBDVNNUKJO-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.22
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

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethylbenzamide
CID 54987862
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-chloro-N-ethylbenzamide
CID 54987663
3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429310
3-[[2-ethylbutyl(methyl)amino]methyl]benzenecarbothioamide
CID 82926759
N-butyl-3-carbamothioyl-N-methylbenzamide
CID 24696924
3-(3-carbamothioylphenyl)-1,1-diethylurea
CID 79162256
3-amino-N-ethyl-N-(2-ethylbutyl)-4-nitrobenzamide
CID 62681590
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
N-ethyl-N-(2-ethylbutyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 52723556
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
3-bromo-4-[ethyl(2-ethylbutyl)amino]benzenecarbothioamide
CID 82804039

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide (CID 61437810) is 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide is CCC(CC)CN(CC)C(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide?
The InChIKey is OEEOUBDVNNUKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-12(5-2)11-18(6-3)16(19)14-9-7-8-13(10-14)15(17)20/h7-10,12H,4-6,11H2,1-3H3,(H2,17,20).
What are the key properties of 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide?
3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide is sourced from PubChem (CID 61437810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).