N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide

C18H23NO3S — CID 111437274

IUPACN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)C(C)c2cccs2)cc1
InChIInChI=1S/C18H23NO3S/c1-12(2)22-15-8-6-14(7-9-15)16(20)11-19-18(21)13(3)17-5-4-10-23-17/h4-10,12-13,16,20H,11H2,1-3H3,(H,19,21)
InChIKeyHCBQJTRWZOFXSC-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.49
Rot. Bonds7

About N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide (PubChem CID 111437274) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide
PubChem CID111437274
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)C(C)c2cccs2)cc1
InChIInChI=1S/C18H23NO3S/c1-12(2)22-15-8-6-14(7-9-15)16(20)11-19-18(21)13(3)17-5-4-10-23-17/h4-10,12-13,16,20H,11H2,1-3H3,(H,19,21)
InChIKeyHCBQJTRWZOFXSC-UHFFFAOYSA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 139000342
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 111422863
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 71782438
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide (CID 111437274) is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide is CC(C)Oc1ccc(C(O)CNC(=O)C(C)c2cccs2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide?
The InChIKey is HCBQJTRWZOFXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-12(2)22-15-8-6-14(7-9-15)16(20)11-19-18(21)13(3)17-5-4-10-23-17/h4-10,12-13,16,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide?
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide has a molecular weight of 333.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 111437274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).