N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide

C20H19N3O2S — CID 2211304

IUPACN-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=S)NCc2ccco2)c1
InChIInChI=1S/C20H19N3O2S/c24-19(21-13-15-6-2-1-3-7-15)16-8-4-9-17(12-16)23-20(26)22-14-18-10-5-11-25-18/h1-12H,13-14H2,(H,21,24)(H2,22,23,26)
InChIKeyKWOAJLVFSPELMG-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.70
Rot. Bonds6

About N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide

N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide (PubChem CID 2211304) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
PubChem CID2211304
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=S)NCc2ccco2)c1
InChIInChI=1S/C20H19N3O2S/c24-19(21-13-15-6-2-1-3-7-15)16-8-4-9-17(12-16)23-20(26)22-14-18-10-5-11-25-18/h1-12H,13-14H2,(H,21,24)(H2,22,23,26)
InChIKeyKWOAJLVFSPELMG-UHFFFAOYSA-N
XLogP3.70
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.70
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-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17200115
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
(E)-4-[3-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17199887
N-(furan-2-ylmethyl)-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide
CID 17200195
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 17200121
5-bromo-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17200032
N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809082
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide?
The IUPAC name of N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide (CID 2211304) is N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide.
What is the SMILES notation for N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide?
The canonical SMILES for N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide is O=C(NCc1ccccc1)c1cccc(NC(=S)NCc2ccco2)c1.
What is the InChIKey of N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide?
The InChIKey is KWOAJLVFSPELMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(21-13-15-6-2-1-3-7-15)16-8-4-9-17(12-16)23-20(26)22-14-18-10-5-11-25-18/h1-12H,13-14H2,(H,21,24)(H2,22,23,26).
What are the key properties of N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide?
N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide is sourced from PubChem (CID 2211304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).