N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide

C14H22N2O2S — CID 103087563

IUPACN-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCCCCSC
InChIInChI=1S/C14H22N2O2S/c1-11(17)16-12-6-7-14(18-2)13(10-12)15-8-4-5-9-19-3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyLVECPJXGOAUDBW-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.21
Rot. Bonds8

About N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide

N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide (PubChem CID 103087563) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
PubChem CID103087563
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCCCCSC
InChIInChI=1S/C14H22N2O2S/c1-11(17)16-12-6-7-14(18-2)13(10-12)15-8-4-5-9-19-3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyLVECPJXGOAUDBW-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
4-methoxy-3-(3-methylsulfanylpropylamino)benzoic acid
CID 55229746
N-[2-methyl-5-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087677
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
tert-butyl N-[2-methoxy-4-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107241079
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
2-methoxy-N-(3-methylsulfanylpropyl)aniline
CID 28612222
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide
CID 21325792

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide (CID 103087563) is N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide is COc1ccc(NC(C)=O)cc1NCCCCSC.
What is the InChIKey of N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide?
The InChIKey is LVECPJXGOAUDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(17)16-12-6-7-14(18-2)13(10-12)15-8-4-5-9-19-3/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide?
N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide is sourced from PubChem (CID 103087563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).