N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide

C18H21NO2S — CID 90496997

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(O)(c2cccs2)C2CC2)c1
InChIInChI=1S/C18H21NO2S/c1-12-5-6-13(2)15(10-12)17(20)19-11-18(21,14-7-8-14)16-4-3-9-22-16/h3-6,9-10,14,21H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyRVVPECMNZKXUEY-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.39
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide (PubChem CID 90496997) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
PubChem CID90496997
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(O)(c2cccs2)C2CC2)c1
InChIInChI=1S/C18H21NO2S/c1-12-5-6-13(2)15(10-12)17(20)19-11-18(21,14-7-8-14)16-4-3-9-22-16/h3-6,9-10,14,21H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyRVVPECMNZKXUEY-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-methylphenoxy)acetamide
CID 90497022
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90496994
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 99873672
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
CID 90497128
4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
CID 90497084

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide (CID 90496997) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(O)(c2cccs2)C2CC2)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide?
The InChIKey is RVVPECMNZKXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-5-6-13(2)15(10-12)17(20)19-11-18(21,14-7-8-14)16-4-3-9-22-16/h3-6,9-10,14,21H,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide has a molecular weight of 315.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 90496997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).