N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C16H18N2O2S — CID 43100763

IUPACN-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyFPYHAWMXSGJJDM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.40
Rot. Bonds5

About N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 43100763) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID43100763
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyFPYHAWMXSGJJDM-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
4-methoxy-N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23098487
dimethyl 5-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 32676593
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43909486

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 43100763) is N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)Nc2ccc(N)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is FPYHAWMXSGJJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 43100763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).