N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide

C13H19NOS — CID 110784543

IUPACN-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
SMILESCCSc1ccc(CNC(=O)C(C)C)cc1
InChIInChI=1S/C13H19NOS/c1-4-16-12-7-5-11(6-8-12)9-14-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyQXVXLOSRPSOEBA-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.07
Rot. Bonds5

About N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide

N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide (PubChem CID 110784543) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
PubChem CID110784543
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
SMILESCCSc1ccc(CNC(=O)C(C)C)cc1
InChIInChI=1S/C13H19NOS/c1-4-16-12-7-5-11(6-8-12)9-14-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyQXVXLOSRPSOEBA-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564
5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide
CID 110794530
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
CID 51332839
N-[[4-[(Z)-2-amino-1-aminosulfanylethenyl]phenyl]methyl]-2-methylpropanamide
CID 142126321
2-amino-3-[(4-ethylsulfanylphenyl)methylamino]propanoic acid
CID 115240702
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
methyl 4-[[4-[(2-methylpropanoylamino)methyl]phenyl]methylamino]-4-oxobutanoate
CID 66826545

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide (CID 110784543) is N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide is CCSc1ccc(CNC(=O)C(C)C)cc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide?
The InChIKey is QXVXLOSRPSOEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-16-12-7-5-11(6-8-12)9-14-13(15)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15).
What are the key properties of N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide?
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide has a molecular weight of 237.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 110784543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).