N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide

C16H19NO3S — CID 111452131

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C16H19NO3S/c1-16(19,14-6-7-21-10-14)11-17-15(18)13-5-3-4-12(8-13)9-20-2/h3-8,10,19H,9,11H2,1-2H3,(H,17,18)
InChIKeyODYWIFSCOZRJJP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.53
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide (PubChem CID 111452131) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
PubChem CID111452131
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C16H19NO3S/c1-16(19,14-6-7-21-10-14)11-17-15(18)13-5-3-4-12(8-13)9-20-2/h3-8,10,19H,9,11H2,1-2H3,(H,17,18)
InChIKeyODYWIFSCOZRJJP-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-ethyl-3-[[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111654361
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111654450
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide (CID 111452131) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCC(C)(O)c2ccsc2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide?
The InChIKey is ODYWIFSCOZRJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(19,14-6-7-21-10-14)11-17-15(18)13-5-3-4-12(8-13)9-20-2/h3-8,10,19H,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide has a molecular weight of 305.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide is sourced from PubChem (CID 111452131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).