2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide

C14H21NOS2 — CID 78762081

IUPAC2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C14H21NOS2/c1-4-5-10-18-11(2)14(16)15-12-8-6-7-9-13(12)17-3/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyYRGZFWRZGXPSTA-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.27
Rot. Bonds7

About 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide

2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 78762081) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
PubChem CID78762081
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC Name2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C14H21NOS2/c1-4-5-10-18-11(2)14(16)15-12-8-6-7-9-13(12)17-3/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyYRGZFWRZGXPSTA-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylsulfanyl-N-(2-phenylphenyl)propanamide
CID 112781235
N-[2-[[(2R)-2-butylsulfanylpropanoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 94802493
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
1-[2-(2-butylsulfanylpropanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206646
2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82181810
2-(4-aminobutylsulfanyl)-N-(2-chlorophenyl)propanamide
CID 82180215
(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide
CID 95615900
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
2-[4-(2-butylsulfanylpropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219227
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747
1-heptan-4-yl-3-(2-methylsulfanylphenyl)urea
CID 58607472
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 78762031

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide (CID 78762081) is 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide is CCCCSC(C)C(=O)Nc1ccccc1SC.
What is the InChIKey of 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is YRGZFWRZGXPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-4-5-10-18-11(2)14(16)15-12-8-6-7-9-13(12)17-3/h6-9,11H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide?
2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 283.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 78762081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).