N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide

C13H19NO2S — CID 75381692

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C13H19NO2S/c1-10(9-17-2)13(16)14-12-5-3-11(4-6-12)7-8-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyBVORZNLTFONECZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds6

About N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide

N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 75381692) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID75381692
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C13H19NO2S/c1-10(9-17-2)13(16)14-12-5-3-11(4-6-12)7-8-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyBVORZNLTFONECZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
CID 51985199
2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119769549
N-[4-(2-hydroxyethyl)phenyl]-2-(propylsulfonylamino)propanamide
CID 61221245
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
N-[4-(2-hydroxyethyl)phenyl]-2-piperazin-1-ylpropanamide
CID 61237892
N-[4-(2-hydroxyethyl)phenyl]-2-(3-methylphenyl)propanamide
CID 111442382
3-[[4-[(2-methyl-3-methylsulfanylpropanoyl)amino]benzoyl]amino]propanoic acid
CID 119222954
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide (CID 75381692) is N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is BVORZNLTFONECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(9-17-2)13(16)14-12-5-3-11(4-6-12)7-8-15/h3-6,10,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide?
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 75381692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).