4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C14H20N2OS2 — CID 112659645

IUPAC4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2OS2/c1-4-12(9-19-3)16(2)14(17)11-7-5-10(6-8-11)13(15)18/h5-8,12H,4,9H2,1-3H3,(H2,15,18)
InChIKeyCZMOXNVWUYDLJV-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.53
Rot. Bonds6

About 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 112659645) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID112659645
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H20N2OS2/c1-4-12(9-19-3)16(2)14(17)11-7-5-10(6-8-11)13(15)18/h5-8,12H,4,9H2,1-3H3,(H2,15,18)
InChIKeyCZMOXNVWUYDLJV-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
4-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 54946736
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 107689562
6-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 112663249
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 102705866

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 112659645) is 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is CZMOXNVWUYDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-4-12(9-19-3)16(2)14(17)11-7-5-10(6-8-11)13(15)18/h5-8,12H,4,9H2,1-3H3,(H2,15,18).
What are the key properties of 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 296.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 112659645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).