3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

C17H25NO2S — CID 114751614

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESCc1ccc(SCCC(=O)NCC2(CCO)CC2)cc1C
InChIInChI=1S/C17H25NO2S/c1-13-3-4-15(11-14(13)2)21-10-5-16(20)18-12-17(6-7-17)8-9-19/h3-4,11,19H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyMAQONNFVNNJVNK-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.06
Rot. Bonds8

About 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (PubChem CID 114751614) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
PubChem CID114751614
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESCc1ccc(SCCC(=O)NCC2(CCO)CC2)cc1C
InChIInChI=1S/C17H25NO2S/c1-13-3-4-15(11-14(13)2)21-10-5-16(20)18-12-17(6-7-17)8-9-19/h3-4,11,19H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyMAQONNFVNNJVNK-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 114751224
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65034689
N-[1-(aminomethyl)cyclopentyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119567373
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
3-(3,4-dimethylphenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107300545
3-(3,4-dimethylphenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120832196
3-(4-amino-3-methylphenyl)sulfanyl-N-ethylpropanamide
CID 79148198
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 112814079
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 114751337
3-(3,4-dimethylphenyl)sulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460314

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (CID 114751614) is 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is Cc1ccc(SCCC(=O)NCC2(CCO)CC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The InChIKey is MAQONNFVNNJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13-3-4-15(11-14(13)2)21-10-5-16(20)18-12-17(6-7-17)8-9-19/h3-4,11,19H,5-10,12H2,1-2H3,(H,18,20).
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide has a molecular weight of 307.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 114751614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).