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

C14H20N2OS — CID 61429258

IUPAC4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2OS/c1-10(2)8-9-16(3)14(17)12-6-4-11(5-7-12)13(15)18/h4-7,10H,8-9H2,1-3H3,(H2,15,18)
InChIKeyMKFIXCOZIDTTKO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.44
Rot. Bonds5

About 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide

4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide (PubChem CID 61429258) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
PubChem CID61429258
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2OS/c1-10(2)8-9-16(3)14(17)12-6-4-11(5-7-12)13(15)18/h4-7,10H,8-9H2,1-3H3,(H2,15,18)
InChIKeyMKFIXCOZIDTTKO-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

3-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429310
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487
4-carbamothioyl-N,N-bis(2-methylpropyl)benzamide
CID 61378658
4-[methyl(3-methylbutyl)sulfamoyl]benzenecarbothioamide
CID 61429361
4-(3-methylbutyl)benzenecarbothioamide
CID 54180447
4-[1-hydroxy-2-[methyl(3-methylbutyl)amino]ethyl]benzenecarbothioamide
CID 61429133
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
CID 43269726
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63979148
4-benzamido-N-methyl-N-(3-methylbutyl)benzamide
CID 86926879

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide (CID 61429258) is 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide is CC(C)CCN(C)C(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
The InChIKey is MKFIXCOZIDTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)8-9-16(3)14(17)12-6-4-11(5-7-12)13(15)18/h4-7,10H,8-9H2,1-3H3,(H2,15,18).
What are the key properties of 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide?
4-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 4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 61429258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).