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

C16H19N3OS2 — CID 817337

IUPACN-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19N3OS2/c1-3-19(4-2)13-9-7-12(8-10-13)17-16(21)18-15(20)14-6-5-11-22-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,21)
InChIKeyYLAKAILXHFFTNE-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.72
Rot. Bonds5

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

N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 817337) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID817337
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC NameN-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C16H19N3OS2/c1-3-19(4-2)13-9-7-12(8-10-13)17-16(21)18-15(20)14-6-5-11-22-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,21)
InChIKeyYLAKAILXHFFTNE-UHFFFAOYSA-N
XLogP3.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.72
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-(4-aminophenyl)thiophene-2-carboxamide
CID 736373
N,N'-1,4-Phenylenebis[2-thiophenecarboxamide]
CID 573445
N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
CID 670788
1-Phenyl-3-(thiophene-2-carbonyl)-thiourea
CID 817333
N-[(4-sulfamoylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 1828675
N-[(3-fluoro-4-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2344016
N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
CID 892549
N-((4-morpholinophenyl)carbamothioyl)thiophene-2-carboxamide
CID 718042
N-phenyl-2-(2-thienylcarbonyl)hydrazinecarbothioamide
CID 848905
N-[[3-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 882702
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 25266932

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 817337) is N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide is CCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is YLAKAILXHFFTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-3-19(4-2)13-9-7-12(8-10-13)17-16(21)18-15(20)14-6-5-11-22-14/h5-11H,3-4H2,1-2H3,(H2,17,18,20,21).
What are the key properties of N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[4-(diethylamino)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.72, 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]thiophene-2-carboxamide is sourced from PubChem (CID 817337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).