N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide

C16H23NO2S — CID 43577392

IUPACN-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCc1ccc(SCCC(=O)N(CCO)C2CC2)cc1C
InChIInChI=1S/C16H23NO2S/c1-12-3-6-15(11-13(12)2)20-10-7-16(19)17(8-9-18)14-4-5-14/h3,6,11,14,18H,4-5,7-10H2,1-2H3
InChIKeyPPVUIEGWUVRQQN-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.77
Rot. Bonds7

About N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide

N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide (PubChem CID 43577392) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
PubChem CID43577392
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCc1ccc(SCCC(=O)N(CCO)C2CC2)cc1C
InChIInChI=1S/C16H23NO2S/c1-12-3-6-15(11-13(12)2)20-10-7-16(19)17(8-9-18)14-4-5-14/h3,6,11,14,18H,4-5,7-10H2,1-2H3
InChIKeyPPVUIEGWUVRQQN-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43577284
3-[cyclopropyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanoic acid
CID 60844706
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43577384
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
3-(3,4-dimethylphenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43393931
N-(2-cyanoethyl)-3-(3,4-dimethylphenyl)sulfanyl-N-methylpropanamide
CID 43214065
N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 102866164
N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
CID 102684582
3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide
CID 119825082
3-(3,4-dimethylphenyl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751614
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119477664
3-(3,4-dimethylphenyl)sulfanyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389031

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide (CID 43577392) is N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide is Cc1ccc(SCCC(=O)N(CCO)C2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is PPVUIEGWUVRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12-3-6-15(11-13(12)2)20-10-7-16(19)17(8-9-18)14-4-5-14/h3,6,11,14,18H,4-5,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 293.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 43577392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).