N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide

C19H19NO2S — CID 110500869

IUPACN-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(C)ccc2O)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-3-6-14-13-7-4-5-8-17(13)23-18(14)19(22)20-15-11-12(2)9-10-16(15)21/h4-5,7-11,21H,3,6H2,1-2H3,(H,20,22)
InChIKeyVWCGYDPRQLHEDI-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.12
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide

N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110500869) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
PubChem CID110500869
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(C)ccc2O)sc2ccccc12
InChIInChI=1S/C19H19NO2S/c1-3-6-14-13-7-4-5-8-17(13)23-18(14)19(22)20-15-11-12(2)9-10-16(15)21/h4-5,7-11,21H,3,6H2,1-2H3,(H,20,22)
InChIKeyVWCGYDPRQLHEDI-UHFFFAOYSA-N
XLogP5.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-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-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805
N-(2,5-dimethylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500598
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500854
N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503326
methyl 4-(2,5-dimethylphenyl)-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503376
2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
CID 110500861
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503312
N-(5-chloro-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500604
3-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 31618494
4-methyl-3-[[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]amino]benzoic acid
CID 110500716
3-[(4-methylphenyl)methyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 110496960

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide (CID 110500869) is N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)Nc2cc(C)ccc2O)sc2ccccc12.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide?
The InChIKey is VWCGYDPRQLHEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-3-6-14-13-7-4-5-8-17(13)23-18(14)19(22)20-15-11-12(2)9-10-16(15)21/h4-5,7-11,21H,3,6H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide?
N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110500869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).