N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

C18H15N3O3S2 — CID 28638535

IUPACN-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H15N3O3S2/c22-16(19-11-14-3-1-9-24-14)12-5-7-13(8-6-12)20-18(25)21-17(23)15-4-2-10-26-15/h1-10H,11H2,(H,19,22)(H2,20,21,23,25)
InChIKeyNXQGTMUBODYGIN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.40
Rot. Bonds5

About N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 28638535) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID28638535
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC NameN-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H15N3O3S2/c22-16(19-11-14-3-1-9-24-14)12-5-7-13(8-6-12)20-18(25)21-17(23)15-4-2-10-26-15/h1-10H,11H2,(H,19,22)(H2,20,21,23,25)
InChIKeyNXQGTMUBODYGIN-UHFFFAOYSA-N
XLogP3.40
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17171029
N-(furan-2-ylmethyl)-4-(phenylcarbamothioylamino)benzamide
CID 28638296
N-(furan-2-ylmethyl)-4-(propanoylcarbamothioylamino)benzamide
CID 28638533
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methylbenzamide
CID 28638553
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586
4-(furan-2-ylmethylcarbamothioylamino)-N-methylbenzamide
CID 8628684
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 28638591
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
N-(furan-2-ylmethyl)-3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzamide
CID 17200195

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 28638535) is N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is O=C(NCc1ccco1)c1ccc(NC(=S)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is NXQGTMUBODYGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c22-16(19-11-14-3-1-9-24-14)12-5-7-13(8-6-12)20-18(25)21-17(23)15-4-2-10-26-15/h1-10H,11H2,(H,19,22)(H2,20,21,23,25).
What are the key properties of N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 28638535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).