N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide

C16H17NO2S — CID 82795082

IUPACN-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H17NO2S/c1-11-14(5-2-6-15(11)18)16(19)17(12-7-8-12)10-13-4-3-9-20-13/h2-6,9,12,18H,7-8,10H2,1H3
InChIKeyCICFBLDOILIVRP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.57
Rot. Bonds4

About N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide

N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 82795082) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID82795082
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1c(O)cccc1C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H17NO2S/c1-11-14(5-2-6-15(11)18)16(19)17(12-7-8-12)10-13-4-3-9-20-13/h2-6,9,12,18H,7-8,10H2,1H3
InChIKeyCICFBLDOILIVRP-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
3-hydroxy-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82829909
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
5-amino-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61107609
N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 47074872
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 107261690
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
N-cyclopropyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461213
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908
6-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 62186849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 82795082) is N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide is Cc1c(O)cccc1C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CICFBLDOILIVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-14(5-2-6-15(11)18)16(19)17(12-7-8-12)10-13-4-3-9-20-13/h2-6,9,12,18H,7-8,10H2,1H3.
What are the key properties of N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide?
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 287.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 82795082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).