3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide

C15H17NO2S — CID 82829909

IUPAC3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H17NO2S/c1-11-13(6-3-7-14(11)17)15(18)16(2)9-8-12-5-4-10-19-12/h3-7,10,17H,8-9H2,1-2H3
InChIKeyGQRFUCJFMOJOBR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.08
Rot. Bonds4

About 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide

3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 82829909) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID82829909
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H17NO2S/c1-11-13(6-3-7-14(11)17)15(18)16(2)9-8-12-5-4-10-19-12/h3-7,10,17H,8-9H2,1-2H3
InChIKeyGQRFUCJFMOJOBR-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
N-methyl-4-(methylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 79487638
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide (CID 82829909) is 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide is Cc1c(O)cccc1C(=O)N(C)CCc1cccs1.
What is the InChIKey of 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is GQRFUCJFMOJOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-13(6-3-7-14(11)17)15(18)16(2)9-8-12-5-4-10-19-12/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide?
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 275.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 82829909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).