N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide

C17H16N2O2S — CID 17099643

IUPACN-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H16N2O2S/c1-10(2)16(20)19-17(22)18-11-7-8-13-12-5-3-4-6-14(12)21-15(13)9-11/h3-10H,1-2H3,(H2,18,19,20,22)
InChIKeySWUMPQLEKRQSHL-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.05
Rot. Bonds2

About N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide

N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide (PubChem CID 17099643) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide
PubChem CID17099643
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H16N2O2S/c1-10(2)16(20)19-17(22)18-11-7-8-13-12-5-3-4-6-14(12)21-15(13)9-11/h3-10H,1-2H3,(H2,18,19,20,22)
InChIKeySWUMPQLEKRQSHL-UHFFFAOYSA-N
XLogP4.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.05
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-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
3-chloro-N-(dibenzofuran-3-ylcarbamothioyl)-4-methoxybenzamide
CID 2896353
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
N-dibenzofuran-3-yl-2-(3-methoxyphenoxy)propanamide
CID 133239850
3-(4-chlorophenyl)-N-(dibenzofuran-3-ylcarbamothioyl)prop-2-enamide
CID 4511402
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
2-methyl-N-[(2-oxochromen-6-yl)carbamothioyl]propanamide
CID 953736
(2S)-N-dibenzofuran-3-yl-2-[(2,2-diphenylacetyl)amino]propanamide
CID 126008008
(2R)-2-amino-N-dibenzofuran-2-ylpropanamide
CID 54996249
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methylpropanamide
CID 17099655
N-dibenzofuran-3-yl-2-(2-methylphenoxy)propanamide
CID 133239743
1-(3-chlorophenyl)-3-dibenzofuran-3-ylurea
CID 3523584

Frequently Asked Questions

What is the IUPAC name of N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide?
The IUPAC name of N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide (CID 17099643) is N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide.
What is the SMILES notation for N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide?
The canonical SMILES for N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide is CC(C)C(=O)NC(=S)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide?
The InChIKey is SWUMPQLEKRQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10(2)16(20)19-17(22)18-11-7-8-13-12-5-3-4-6-14(12)21-15(13)9-11/h3-10H,1-2H3,(H2,18,19,20,22).
What are the key properties of N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide?
N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide has a molecular weight of 312.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide is sourced from PubChem (CID 17099643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).