N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide

C14H19NOS — CID 78765452

IUPACN-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(C)c(SC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C14H19NOS/c1-9-4-5-10(2)13(8-9)17-11(3)14(16)15-12-6-7-12/h4-5,8,11-12H,6-7H2,1-3H3,(H,15,16)
InChIKeyVWDRZEVYOKUMQQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.06
Rot. Bonds4

About N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide

N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide (PubChem CID 78765452) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide
PubChem CID78765452
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(C)c(SC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C14H19NOS/c1-9-4-5-10(2)13(8-9)17-11(3)14(16)15-12-6-7-12/h4-5,8,11-12H,6-7H2,1-3H3,(H,15,16)
InChIKeyVWDRZEVYOKUMQQ-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
2-(2,5-dimethylphenyl)sulfanylpropanoic acid
CID 16785629
2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62224597
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119477035
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
(2S)-2-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide
CID 41132971

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide (CID 78765452) is N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide is Cc1ccc(C)c(SC(C)C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide?
The InChIKey is VWDRZEVYOKUMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-9-4-5-10(2)13(8-9)17-11(3)14(16)15-12-6-7-12/h4-5,8,11-12H,6-7H2,1-3H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide?
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide has a molecular weight of 249.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 78765452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).