N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide

C16H23NO2S — CID 114751224

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC2(CCO)CC2)cc1
InChIInChI=1S/C16H23NO2S/c1-13-2-4-14(5-3-13)20-11-6-15(19)17-12-16(7-8-16)9-10-18/h2-5,18H,6-12H2,1H3,(H,17,19)
InChIKeyHAXQJVLPLLHDFU-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.76
Rot. Bonds8

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 114751224) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID114751224
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC2(CCO)CC2)cc1
InChIInChI=1S/C16H23NO2S/c1-13-2-4-14(5-3-13)20-11-6-15(19)17-12-16(7-8-16)9-10-18/h2-5,18H,6-12H2,1H3,(H,17,19)
InChIKeyHAXQJVLPLLHDFU-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751614
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide
CID 114618833
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-phenylsulfanylbutanamide
CID 80717229
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 107847155
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
5-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanoic acid
CID 62032494
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 114751337
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
N-cyano-3-(4-methylphenyl)sulfanylpropanamide
CID 79194035
2-(2-bromo-4-methylphenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751462
1-[(3-phenylsulfanylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544551

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 114751224) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NCC2(CCO)CC2)cc1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is HAXQJVLPLLHDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-13-2-4-14(5-3-13)20-11-6-15(19)17-12-16(7-8-16)9-10-18/h2-5,18H,6-12H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 293.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 114751224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).