N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide

C18H23NO3S — CID 71848991

IUPACN-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C18H23NO3S/c1-18(2,3)15(20)11-19-17(21)16-13(22-4)10-14(23-16)12-8-6-5-7-9-12/h5-10,15,20H,11H2,1-4H3,(H,19,21)
InChIKeyRSGAONWLAFHDLY-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.56
Rot. Bonds5

About N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide

N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide (PubChem CID 71848991) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
PubChem CID71848991
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C18H23NO3S/c1-18(2,3)15(20)11-19-17(21)16-13(22-4)10-14(23-16)12-8-6-5-7-9-12/h5-10,15,20H,11H2,1-4H3,(H,19,21)
InChIKeyRSGAONWLAFHDLY-UHFFFAOYSA-N
XLogP3.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-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

3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
CID 120831086
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55851805
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 51087309
N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
3-methoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452328
1-(2-hydroxy-3,3-dimethylbutyl)-3-[(2-methoxyphenyl)methyl]urea
CID 111119483
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 119457762
phenyl 3-methoxy-5-phenylthiophene-2-carboxylate
CID 139631603
3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide
CID 52671085
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide (CID 71848991) is N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide is COc1cc(-c2ccccc2)sc1C(=O)NCC(O)C(C)(C)C.
What is the InChIKey of N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide?
The InChIKey is RSGAONWLAFHDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(2,3)15(20)11-19-17(21)16-13(22-4)10-14(23-16)12-8-6-5-7-9-12/h5-10,15,20H,11H2,1-4H3,(H,19,21).
What are the key properties of N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide?
N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 71848991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).