N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide

C14H14N2OS2 — CID 79976248

IUPACN-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H14N2OS2/c1-2-9-7-8-19-12(9)14(17)16-11-5-3-10(4-6-11)13(15)18/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyFSYKAMXCKNTAMX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds4

About N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide

N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide (PubChem CID 79976248) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide
PubChem CID79976248
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H14N2OS2/c1-2-9-7-8-19-12(9)14(17)16-11-5-3-10(4-6-11)13(15)18/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyFSYKAMXCKNTAMX-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide
CID 60564330
N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
N-(3-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976267
N-[4-(dimethylamino)-3-methylphenyl]-3-ethylthiophene-2-carboxamide
CID 60566814
3-ethyl-N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 79975885
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 20735470
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
3-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47366067
3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 47231538

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide (CID 79976248) is N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is FSYKAMXCKNTAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-2-9-7-8-19-12(9)14(17)16-11-5-3-10(4-6-11)13(15)18/h3-8H,2H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide?
N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 79976248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).