N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide

C21H20N2O2S — CID 101020572

IUPACN-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C(=S)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-22(20(24)19-13-8-14-25-19)21(26)23(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3
InChIKeyHWSPBUHCHNAQDS-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.34
Rot. Bonds5

About N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide

N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide (PubChem CID 101020572) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
PubChem CID101020572
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C(=S)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-22(20(24)19-13-8-14-25-19)21(26)23(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3
InChIKeyHWSPBUHCHNAQDS-UHFFFAOYSA-N
XLogP4.34
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzylfuran-2-carboxamide
CID 762503
furan-2-carbonyl(methyl)carbamic acid;hydrochloride
CID 70634147
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-benzyl-N-(cyanomethyl)furan-2-carboxamide
CID 61035761
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
CID 17385332
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238

Frequently Asked Questions

What is the IUPAC name of N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide (CID 101020572) is N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)C(=S)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide?
The InChIKey is HWSPBUHCHNAQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-22(20(24)19-13-8-14-25-19)21(26)23(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3.
What are the key properties of N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide?
N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 101020572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).