N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide

C19H17N3O2S — CID 28638296

IUPACN-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
SMILESO=C(NCc1ccco1)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S/c23-18(20-13-17-7-4-12-24-17)14-8-10-16(11-9-14)22-19(25)21-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,23)(H2,21,22,25)
InChIKeyKIVUXYKFYHTTLK-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.02
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide

N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide (PubChem CID 28638296) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
PubChem CID28638296
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
SMILESO=C(NCc1ccco1)c1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S/c23-18(20-13-17-7-4-12-24-17)14-8-10-16(11-9-14)22-19(25)21-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,23)(H2,21,22,25)
InChIKeyKIVUXYKFYHTTLK-UHFFFAOYSA-N
XLogP4.02
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.02
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

1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-4-(propanoylcarbamothioylamino)benzamide
CID 28638533
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
CID 8628684
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methylbenzamide
CID 28638553
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 28638535
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
CID 2211304
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 28638591

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide (CID 28638296) is N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide is O=C(NCc1ccco1)c1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide?
The InChIKey is KIVUXYKFYHTTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(20-13-17-7-4-12-24-17)14-8-10-16(11-9-14)22-19(25)21-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,23)(H2,21,22,25).
What are the key properties of N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide?
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide has a molecular weight of 351.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide is sourced from PubChem (CID 28638296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).