4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide

C14H15N3O2S — CID 8628684

IUPAC4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H15N3O2S/c1-15-13(18)10-4-6-11(7-5-10)17-14(20)16-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,18)(H2,16,17,20)
InChIKeyDHGVKSBCHCYZNT-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.13
Rot. Bonds4

About 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide

4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide (PubChem CID 8628684) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
PubChem CID8628684
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H15N3O2S/c1-15-13(18)10-4-6-11(7-5-10)17-14(20)16-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,18)(H2,16,17,20)
InChIKeyDHGVKSBCHCYZNT-UHFFFAOYSA-N
XLogP2.13
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
N-(furan-2-ylmethyl)-4-(propanoylcarbamothioylamino)benzamide
CID 28638533
N-[4-(furan-2-ylmethylcarbamothioylamino)phenyl]-N-methylacetamide
CID 19649192
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
CID 8564804
1-(furan-2-ylmethyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 2954454
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methylbenzamide
CID 28638553
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 28638535
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide?
The IUPAC name of 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide (CID 8628684) is 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide.
What is the SMILES notation for 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide?
The canonical SMILES for 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide is CNC(=O)c1ccc(NC(=S)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide?
The InChIKey is DHGVKSBCHCYZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-15-13(18)10-4-6-11(7-5-10)17-14(20)16-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,18)(H2,16,17,20).
What are the key properties of 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide?
4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide has a molecular weight of 289.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide is sourced from PubChem (CID 8628684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).