2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide

C14H21NOS — CID 2942383

IUPAC2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide
SMILESCc1ccc(SC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C14H21NOS/c1-10(2)9-15-14(16)12(4)17-13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)
InChIKeyXQTJKFMMNJUYEI-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide

2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide (PubChem CID 2942383) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide
PubChem CID2942383
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide
SMILESCc1ccc(SC(C)C(=O)NCC(C)C)cc1
InChIInChI=1S/C14H21NOS/c1-10(2)9-15-14(16)12(4)17-13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)
InChIKeyXQTJKFMMNJUYEI-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
(1R,2R)-N-(cyanomethyl)-2-{[(4-methylphenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10308440
N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
2-cyano-3-[4-(methylsulfanyl)phenyl]-N-(prop-2-en-1-yl)prop-2-enamide
CID 2376321
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N-butyl-2-phenyl-2-phenylsulfanylacetamide
CID 2886275
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide (CID 2942383) is 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide is Cc1ccc(SC(C)C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
The InChIKey is XQTJKFMMNJUYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(2)9-15-14(16)12(4)17-13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide has a molecular weight of 251.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 2942383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).