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

C16H19N3O2S — CID 739340

IUPACN-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H19N3O2S/c1-3-19(4-2)13-9-7-12(8-10-13)17-16(22)18-15(20)14-6-5-11-21-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,22)
InChIKeyKGIIMKHUFSKYML-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.25
Rot. Bonds5

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

N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 739340) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide
PubChem CID739340
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H19N3O2S/c1-3-19(4-2)13-9-7-12(8-10-13)17-16(22)18-15(20)14-6-5-11-21-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,22)
InChIKeyKGIIMKHUFSKYML-UHFFFAOYSA-N
XLogP3.25
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-Phenyl-2-furancarboxamide
CID 220406
1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
2-(2-Furoyl)-N-phenylhydrazinecarbothioamide
CID 736799
N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
N-[[4-(thiophene-2-carbonylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 1016196
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
5-(2-Furanylmethyl)tetrahydro-1-phenyl-1,3,5-triazine-2(1H)-thione
CID 754478
Furan-2-carboxylic acid [2,2,2-trichloro-1-(3-m-tolyl-thioureido)-ethyl]-amide
CID 3094957
Cambridge id 5798025
CID 744285
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide (CID 739340) is N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide is CCN(CC)c1ccc(NC(=S)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is KGIIMKHUFSKYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-19(4-2)13-9-7-12(8-10-13)17-16(22)18-15(20)14-6-5-11-21-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,22).
What are the key properties of N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide?
N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 739340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).