N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide

C19H24N2O2S2 — CID 4951604

IUPACN-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCCCCCCCOc1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H24N2O2S2/c1-2-3-4-5-6-13-23-16-11-9-15(10-12-16)20-19(24)21-18(22)17-8-7-14-25-17/h7-12,14H,2-6,13H2,1H3,(H2,20,21,22,24)
InChIKeyRFTGAIQFDVCFGF-UHFFFAOYSA-N
MW376.55 g/mol
LogP5.22
Rot. Bonds9

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

N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 4951604) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID4951604
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC NameN-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCCCCCCCOc1ccc(NC(=S)NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H24N2O2S2/c1-2-3-4-5-6-13-23-16-11-9-15(10-12-16)20-19(24)21-18(22)17-8-7-14-25-17/h7-12,14H,2-6,13H2,1H3,(H2,20,21,22,24)
InChIKeyRFTGAIQFDVCFGF-UHFFFAOYSA-N
XLogP5.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389
N-[(4-heptoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4951666
N-[(4-iodophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935594
4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4933896
N-[(4-butoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947260
N-[(4-hexoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948875
3-bromo-N-[(4-heptoxyphenyl)carbamothioyl]benzamide
CID 54791479
N-[(4-heptoxyphenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 4951646
4-pentoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4935590
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-heptoxybenzamide
CID 17130764
N-[(4-anilinophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935589

Frequently Asked Questions

What is the IUPAC name of N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide (CID 4951604) is N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide is CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is RFTGAIQFDVCFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-2-3-4-5-6-13-23-16-11-9-15(10-12-16)20-19(24)21-18(22)17-8-7-14-25-17/h7-12,14H,2-6,13H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 4951604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).