N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide

C21H21NO2S — CID 121134099

IUPACN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(O)c3ccccc3)s2)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-14-8-10-18(15(2)12-14)21(24)22-13-17-9-11-19(25-17)20(23)16-6-4-3-5-7-16/h3-12,20,23H,13H2,1-2H3,(H,22,24)
InChIKeyUNFJHYUPWBYMPI-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.38
Rot. Bonds5

About N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide (PubChem CID 121134099) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
PubChem CID121134099
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(O)c3ccccc3)s2)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-14-8-10-18(15(2)12-14)21(24)22-13-17-9-11-19(25-17)20(23)16-6-4-3-5-7-16/h3-12,20,23H,13H2,1-2H3,(H,22,24)
InChIKeyUNFJHYUPWBYMPI-UHFFFAOYSA-N
XLogP4.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121134090
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 121134338
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
CID 121134132
5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 121134203
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 86264191
1-(3,5-dimethylphenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134389
3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 99981817
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-phenylbutanamide
CID 121134118
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide (CID 121134099) is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccc(C(O)c3ccccc3)s2)c(C)c1.
What is the InChIKey of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
The InChIKey is UNFJHYUPWBYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-14-8-10-18(15(2)12-14)21(24)22-13-17-9-11-19(25-17)20(23)16-6-4-3-5-7-16/h3-12,20,23H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide?
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide has a molecular weight of 351.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 121134099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).