3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide

C14H20N2OS — CID 61429310

IUPAC3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N2OS/c1-10(2)7-8-16(3)14(17)12-6-4-5-11(9-12)13(15)18/h4-6,9-10H,7-8H2,1-3H3,(H2,15,18)
InChIKeyOCAMSXUDVLCSLG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.44
Rot. Bonds5

About 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide

3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide (PubChem CID 61429310) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
PubChem CID61429310
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N2OS/c1-10(2)7-8-16(3)14(17)12-6-4-5-11(9-12)13(15)18/h4-6,9-10H,7-8H2,1-3H3,(H2,15,18)
InChIKeyOCAMSXUDVLCSLG-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.44
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

4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258
N-butyl-3-carbamothioyl-N-methylbenzamide
CID 24696924
3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
3-[[methyl(3-methylbutyl)sulfamoyl]methyl]benzenecarbothioamide
CID 61428642
3-carbamothioyl-N-ethyl-N-(2-ethylbutyl)benzamide
CID 61437810
3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide
CID 61470968
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
N-(3-hydroxybutyl)-N-methyl-3-sulfanylbenzamide
CID 107035726
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 55000146

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide (CID 61429310) is 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide is CC(C)CCN(C)C(=O)c1cccc(C(N)=S)c1.
What is the InChIKey of 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is OCAMSXUDVLCSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)7-8-16(3)14(17)12-6-4-5-11(9-12)13(15)18/h4-6,9-10H,7-8H2,1-3H3,(H2,15,18).
What are the key properties of 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 61429310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).