N-(tert-butylcarbamothioyl)-4-methoxybenzamide

C13H18N2O2S — CID 920636

IUPACN-(tert-butylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)15-12(18)14-11(16)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16,18)
InChIKeyZBBOEJYEQZSIFZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.10
Rot. Bonds2

About N-(tert-butylcarbamothioyl)-4-methoxybenzamide

N-(tert-butylcarbamothioyl)-4-methoxybenzamide (PubChem CID 920636) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(tert-butylcarbamothioyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(tert-butylcarbamothioyl)-4-methoxybenzamide
PubChem CID920636
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(tert-butylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)15-12(18)14-11(16)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16,18)
InChIKeyZBBOEJYEQZSIFZ-UHFFFAOYSA-N
XLogP2.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 4949020
N-carbamothioyl-4-methoxybenzamide
CID 14007083
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 2905077
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-tert-butyl-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3378124
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
3-[(4-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 802596
4-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1295042
N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1346146
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamothioyl)-4-methoxybenzamide?
The IUPAC name of N-(tert-butylcarbamothioyl)-4-methoxybenzamide (CID 920636) is N-(tert-butylcarbamothioyl)-4-methoxybenzamide.
What is the SMILES notation for N-(tert-butylcarbamothioyl)-4-methoxybenzamide?
The canonical SMILES for N-(tert-butylcarbamothioyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1.
What is the InChIKey of N-(tert-butylcarbamothioyl)-4-methoxybenzamide?
The InChIKey is ZBBOEJYEQZSIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,3)15-12(18)14-11(16)9-5-7-10(17-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16,18).
What are the key properties of N-(tert-butylcarbamothioyl)-4-methoxybenzamide?
N-(tert-butylcarbamothioyl)-4-methoxybenzamide has a molecular weight of 266.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamothioyl)-4-methoxybenzamide is sourced from PubChem (CID 920636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).