N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide

C26H38N2O2S — CID 11732936

IUPACN-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCCCCCCCCCCCCCc1ccc(NC(=S)NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-17-19-23(20-18-22)27-26(31)28-25(29)24-16-14-21-30-24/h14,16-21H,2-13,15H2,1H3,(H2,27,28,29,31)
InChIKeySECQQASRWJNDGY-UHFFFAOYSA-N
MW442.67 g/mol
LogP7.65
Rot. Bonds15

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

N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 11732936) has the molecular formula C26H38N2O2S and a molecular weight of 442.67 g/mol. Its IUPAC name is N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID11732936
Molecular FormulaC26H38N2O2S
Molecular Weight442.67 g/mol
Exact Mass442.27
IUPAC NameN-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCCCCCCCCCCCCCCc1ccc(NC(=S)NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-17-19-23(20-18-22)27-26(31)28-25(29)24-16-14-21-30-24/h14,16-21H,2-13,15H2,1H3,(H2,27,28,29,31)
InChIKeySECQQASRWJNDGY-UHFFFAOYSA-N
XLogP7.65
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.67
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 17233679
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
N-[(4-butylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2904238
4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 6945375
N-[(4-pentylphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 21041859
N-[(4-butylphenyl)carbamothioyl]propanamide
CID 4281226
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
4-methyl-N-[(4-pentylphenyl)carbamothioyl]thiadiazole-5-carboxamide
CID 21041739
N-[(4-benzylsulfonylphenyl)carbamothioyl]furan-2-carboxamide
CID 148887016
2-methylpropyl 4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 19187791
N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]furan-2-carboxamide
CID 17099398

Frequently Asked Questions

What is the IUPAC name of N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide (CID 11732936) is N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide is CCCCCCCCCCCCCCc1ccc(NC(=S)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is SECQQASRWJNDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-17-19-23(20-18-22)27-26(31)28-25(29)24-16-14-21-30-24/h14,16-21H,2-13,15H2,1H3,(H2,27,28,29,31).
What are the key properties of N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide?
N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 442.67 g/mol, XLogP of 7.65, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 11732936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).