N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide

C15H16ClNO2S — CID 111450921

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)NCC(O)c1ccccc1Cl)c1ccsc1
InChIInChI=1S/C15H16ClNO2S/c1-10(11-6-7-20-9-11)15(19)17-8-14(18)12-4-2-3-5-13(12)16/h2-7,9-10,14,18H,8H2,1H3,(H,17,19)
InChIKeyAUSZGPZMWOZCGL-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide (PubChem CID 111450921) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide
PubChem CID111450921
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide
SMILESCC(C(=O)NCC(O)c1ccccc1Cl)c1ccsc1
InChIInChI=1S/C15H16ClNO2S/c1-10(11-6-7-20-9-11)15(19)17-8-14(18)12-4-2-3-5-13(12)16/h2-7,9-10,14,18H,8H2,1H3,(H,17,19)
InChIKeyAUSZGPZMWOZCGL-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 97215274
(2R)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 124856624
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide
CID 111697721
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111999775
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
4-methyl-2-[(2-thiophen-3-ylpropanoylamino)methyl]pentanoic acid
CID 119253075
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
CID 111441693

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide (CID 111450921) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide is CC(C(=O)NCC(O)c1ccccc1Cl)c1ccsc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide?
The InChIKey is AUSZGPZMWOZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10(11-6-7-20-9-11)15(19)17-8-14(18)12-4-2-3-5-13(12)16/h2-7,9-10,14,18H,8H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide has a molecular weight of 309.82 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 111450921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).